(Q27457235)

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₃N₃O

1 reference

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

19 October 2016

canonical SMILES

C1CCN2CCN(CC2C1)C3=CC=C(C=C3)C4C5=C(CCN4C6=CC=CC=C6)C=C(C=C5)O

1 reference

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

19 October 2016

isomeric SMILES

C1CCN2CCN(C[C@@H]2C1)C3=CC=C(C=C3)[C@@H]4C5=C(CCN4C6=CC=CC=C6)C=C(C=C5)O

1 reference

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

InChI=1S/C29H33N3O/c33-27-13-14-28-23(20-27)15-17-32(25-6-2-1-3-7-25)29(28)22-9-11-24(12-10-22)31-19-18-30-16-5-4-8-26(30)21-31/h1-3,6-7,9-14,20,26,29,33H,4-5,8,15-19,21H2/t26-,29+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

ZGHFWBDHZZKWSI-LITSAYRRSA-N

19 October 2016

InChIKey

1 reference

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

19 October 2016

1 reference

(1R)-1-{4-[(9aS)-Octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydro-6-isoquinolinol (English)

19 October 2016

2 references

(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL (English)

matched by identifier from

19 October 2016

InChIKey

ZGHFWBDHZZKWSI-LITSAYRRSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZGHFWBDHZZKWSI-LITSAYRRSA-N

0 references

0 references

1 reference

1XQC (English)