(6R)-6-(4-chlorophenyl)-5-(2-thiophen-2-ylethanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R)-6-(4-chlorophenyl)-5-(2-thiophen-2-ylethanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R)-6-(4-chlorophenyl)-5-[2-(2-thienyl)acetyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R)-6-(4-chlorophenyl)-5-(1-oxo-2-thiophen-2-ylethyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R)-6-(4-chlorophenyl)-5-(2-thiophen-2-ylacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R)-6-(4-chlorophenyl)-5-[2-(2-thienyl)acetyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](N(C3=CC=CC=C3N2)C(=O)CC4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)C1

InChI

InChI=1S/C25H21ClN2O2S/c26-17-12-10-16(11-13-17)25-24-20(7-3-9-22(24)29)27-19-6-1-2-8-21(19)28(25)23(30)15-18-5-4-14-31-18/h1-2,4-6,8,10-14,25,27H,3,7,9,15H2/t25-/m1/s1