(6S,6aS)-6-[4-(diethylamino)phenyl]-2-(phenylcarbonyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS)-6-[4-(diethylamino)phenyl]-2-(phenylcarbonyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS)-2-benzoyl-6-[4-(diethylamino)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS)-2-benzoyl-6-[4-(diethylamino)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS)-2-benzoyl-6-[4-(diethylamino)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS)-2-benzoyl-6-[4-(diethylamino)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C30H31N3O2 MolecularWeight: 465.58604

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C3C(=O)CCC=C3NC4=C(N2)C=CC(=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@@H]3C(=O)CCC=C3NC4=C(N2)C=CC(=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2/c1-3-33(4-2)23-16-13-20(14-17-23)29-28-25(11-8-12-27(28)34)31-26-19-22(15-18-24(26)32-29)30(35)21-9-6-5-7-10-21/h5-7,9-11,13-19,28-29,31-32H,3-4,8,12H2,1-2H3/t28-,29+/m0/s1