(Q5710012)

Astrophylline (English)

5 October 2016

chemical formula

C₁₉H₂₆N₂O

1 reference

Astrophylline (English)

5 October 2016

canonical SMILES

C1CCNC(C1)C2CCCN(C2)C(=O)C=CC3=CC=CC=C3

1 reference

Astrophylline (English)

5 October 2016

isomeric SMILES

C1CCN[C@@H](C1)[C@@H]2CCCN(C2)C(=O)/C=C\C3=CC=CC=C3

1 reference

Astrophylline (English)

InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Astrophylline (English)

XIZYLQMCWHMQNP-ZHJNCLIFSA-N

5 October 2016

InChIKey

2 references

Astrophylline (English)

imported from Wikimedia project

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

5081-53-8

2 references

Astrophylline (English)

5 October 2016

1 reference

(2Z)-1-[(2S,3'R)-2,3'-Bipiperidin-1'-yl]-3-phenyl-2-propen-1-one (English)

5 October 2016

2 references

Astrophylline (English)

matched by identifier from

5 October 2016

InChIKey

XIZYLQMCWHMQNP-ZHJNCLIFSA-N

ChEBI ID

2901

mapping relation type

2 references

Astrophylline (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m1/s1

1 reference

1 reference

Astrophylline (English)

5 October 2016

1 reference

Astrophylline (English)