(Q7277831)

CHEMBL298580 (English)

21 September 2016

chemical formula

C₂₃H₂₃ClN₂O

1 reference

CHEMBL298580 (English)

21 September 2016

canonical SMILES

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)C4=CC(=NO4)C5=CC=CC=C5

1 reference

CHEMBL298580 (English)

21 September 2016

isomeric SMILES

CN1[C@@H]2CCC1C([C@H](C2)C3=CC=C(C=C3)Cl)C4=CC(=NO4)C5=CC=CC=C5

1 reference

CHEMBL298580 (English)

InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19-,21?,23?/m1/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL298580 (English)

ZGCYMNJHHKQEGA-SNIUIWFXSA-N

21 September 2016

InChIKey

1 reference

CHEMBL298580 (English)

21 September 2016

1 reference

(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane (English)

21 September 2016

1 reference

(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-(~11~C)methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane (English)

21 September 2016

1 reference

(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-(~13~C)methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane (English)

21 September 2016

1 reference

(2S,5R)-3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane (English)

21 September 2016

2 references

CHEMBL298580 (English)

matched by identifier from

21 September 2016

InChIKey

ZGCYMNJHHKQEGA-SNIUIWFXSA-N

1 reference