3-butan-2-yl-7-chloranyl-5-(2-chlorophenyl)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-butan-2-yl-7-chloranyl-5-(2-chlorophenyl)-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-sec-butyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-butan-2-yl-7-chloro-5-(2-chlorophenyl)-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-butan-2-yl-7-chloro-5-(2-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-chlorophenyl)-1-[2-keto-2-(4-phenylpiperazino)ethyl]-3-sec-butyl-3H-1,4-benzodiazepin-2-one Formula: C31H32Cl2N4O2 MolecularWeight: 563.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)CC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H32Cl2N4O2/c1-3-21(2)29-31(39)37(20-28(38)36-17-15-35(16-18-36)23-9-5-4-6-10-23)27-14-13-22(32)19-25(27)30(34-29)24-11-7-8-12-26(24)33/h4-14,19,21,29H,3,15-18,20H2,1-2H3