1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-methyl-5-(4-methyl-1-piperazinyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-methyl-5-(4-methylpiperazino)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2/c1-16-7-6-8-17(15-16)24-23(31)26-20-22(30)28(3)19-10-5-4-9-18(19)21(25-20)29-13-11-27(2)12-14-29/h4-10,15,20H,11-14H2,1-3H3,(H2,24,26,31)