2-chloranyl-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine

Systemtic Name: 2-chloranyl-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Openeye Name: 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine CAS Name: 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine IUPAC Name: 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Traditional Name: 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Formula: C31H27ClN2O2 MolecularWeight: 495.01128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)C6=CC=CC=C6)OC

InChI

InChI=1S/C31H27ClN2O2/c1-35-29-16-23-14-15-34-19-28(22-10-8-21(9-11-22)20-6-4-3-5-7-20)33-27-13-12-24(32)17-26(27)31(34)25(23)18-30(29)36-2/h3-13,16-18,31H,14-15,19H2,1-2H3