(6R,6aS)-6-(2-chlorophenyl)-9,9-dimethyl-5-(2-phenylethanoyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS)-6-(2-chlorophenyl)-9,9-dimethyl-5-(2-phenylethanoyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS)-6-(2-chlorophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS)-6-(2-chlorophenyl)-9,9-dimethyl-5-(1-oxo-2-phenylethyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS)-6-(2-chlorophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS)-6-(2-chlorophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C29H27ClN2O2 MolecularWeight: 470.98988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=CC=CC=C3N(C(C2C(=O)C1)C4=CC=CC=C4Cl)C(=O)CC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=NC3=CC=CC=C3N([C@H]([C@@H]2C(=O)C1)C4=CC=CC=C4Cl)C(=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H27ClN2O2/c1-29(2)17-23-27(25(33)18-29)28(20-12-6-7-13-21(20)30)32(24-15-9-8-14-22(24)31-23)26(34)16-19-10-4-3-5-11-19/h3-15,27-28H,16-18H2,1-2H3/t27-,28-/m0/s1