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

Systemtic Name: (6S)-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S)-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S)-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S)-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S)-6-(4-bromophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C19H17BrN2O MolecularWeight: 369.25508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](NC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)C1

InChI

InChI=1S/C19H17BrN2O/c20-13-10-8-12(9-11-13)19-18-16(6-3-7-17(18)23)21-14-4-1-2-5-15(14)22-19/h1-2,4-5,8-11,19,21-22H,3,6-7H2/t19-/m0/s1