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

Systemtic Name: 1-[5,9-dimethyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-(1-acetonyl-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea CAS Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxopropyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxopropyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-(1-acetonyl-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea Formula: C22H24N4O3 MolecularWeight: 392.45096

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-13-7-5-9-17(11-13)24-22(29)25-20-21(28)26(12-15(3)27)19-14(2)8-6-10-18(19)16(4)23-20/h5-11,20H,12H2,1-4H3,(H2,24,25,29)