1-[5,9-dimethyl-2-oxidanylidene-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5,9-dimethyl-2-oxidanylidene-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5,9-dimethyl-2-oxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5,9-dimethyl-2-oxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5,9-dimethyl-2-oxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-[2-keto-2-(4-phenylpiperazino)ethyl]-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C31H34N6O3 MolecularWeight: 538.64006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N6O3/c1-21-9-7-11-24(19-21)33-31(40)34-29-30(39)37(28-22(2)10-8-14-26(28)23(3)32-29)20-27(38)36-17-15-35(16-18-36)25-12-5-4-6-13-25/h4-14,19,29H,15-18,20H2,1-3H3,(H2,33,34,40)