(6R)-6-(4-bromophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R)-6-(4-bromophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R)-6-(4-bromophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R)-6-(4-bromophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R)-6-(4-bromophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R)-6-(4-bromophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)Br)C(=O)CCC3

Isomeric SMILES

CC1=CC2=C(C=C1C)NC3=C([C@H](N2)C4=CC=C(C=C4)Br)C(=O)CCC3

InChI

InChI=1S/C21H21BrN2O/c1-12-10-17-18(11-13(12)2)24-21(14-6-8-15(22)9-7-14)20-16(23-17)4-3-5-19(20)25/h6-11,21,23-24H,3-5H2,1-2H3/t21-/m1/s1