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

Systemtic Name: 2-chloranyl-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Openeye Name: 2-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine CAS Name: 2-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine IUPAC Name: 2-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Traditional Name: 2-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine Formula: C25H23ClN2O2 MolecularWeight: 418.91532

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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=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O2/c1-29-23-12-17-10-11-28-15-22(16-6-4-3-5-7-16)27-21-9-8-18(26)13-20(21)25(28)19(17)14-24(23)30-2/h3-9,12-14,25H,10-11,15H2,1-2H3