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

Systemtic Name: 3-chloranyl-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Openeye Name: 3-chloro-12,13-dimethoxy-6-(p-tolyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine CAS Name: 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine IUPAC Name: 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Traditional Name: 3-chloro-12,13-dimethoxy-6-(p-tolyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4C5=CC(=C(C=C5CCN4C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4C5=CC(=C(C=C5CCN4C2)OC)OC

InChI

InChI=1S/C26H25ClN2O2/c1-16-4-6-17(7-5-16)23-15-29-11-10-18-12-24(30-2)25(31-3)14-21(18)26(29)20-9-8-19(27)13-22(20)28-23/h4-9,12-14,26H,10-11,15H2,1-3H3