3-chloranyl-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 3-chloranyl-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C21H21ClN2O/c1-21(2)11-17-19(18(25)12-21)20(13-6-4-3-5-7-13)24-16-10-14(22)8-9-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3