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

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-piperazin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(1-methyl-2-oxo-5-piperazin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea CAS Name: 1-[1-methyl-2-oxo-5-(1-piperazinyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-piperazin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-keto-1-methyl-5-piperazino-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCNCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCNCC4)C

InChI

InChI=1S/C22H26N6O2/c1-15-6-5-7-16(14-15)24-22(30)26-19-21(29)27(2)18-9-4-3-8-17(18)20(25-19)28-12-10-23-11-13-28/h3-9,14,19,23H,10-13H2,1-2H3,(H2,24,26,30)