6-(3-bromophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-bromophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-bromophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-bromophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-bromophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-bromophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C22H23BrN2O MolecularWeight: 411.33482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O/c1-13-7-8-16-17(9-13)25-21(14-5-4-6-15(23)10-14)20-18(24-16)11-22(2,3)12-19(20)26/h4-10,21,24-25H,11-12H2,1-3H3