(6R,6aS)-6-(4-bromophenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS)-6-(4-bromophenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS)-6-(4-bromophenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS)-6-(4-bromophenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS)-6-(4-bromophenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS)-6-(4-bromophenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C23H25BrN2O MolecularWeight: 425.3614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC3=CC(CC(=O)C3C(N2)C4=CC=C(C=C4)Br)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)NC3=CC(CC(=O)[C@H]3[C@@H](N2)C4=CC=C(C=C4)Br)(C)C

InChI

InChI=1S/C23H25BrN2O/c1-13-9-17-18(10-14(13)2)26-22(15-5-7-16(24)8-6-15)21-19(25-17)11-23(3,4)12-20(21)27/h5-11,21-22,25-26H,12H2,1-4H3/t21-,22-/m0/s1