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

Systemtic Name: 1-[5,9-dimethyl-2-oxidanylidene-1-(2-oxidanylidenebutyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxobutyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxobutyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5,9-dimethyl-2-oxo-1-(2-oxobutyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-(2-ketobutyl)-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C)NC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C)NC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C23H26N4O3/c1-5-18(28)13-27-20-15(3)9-7-11-19(20)16(4)24-21(22(27)29)26-23(30)25-17-10-6-8-14(2)12-17/h6-12,21H,5,13H2,1-4H3,(H2,25,26,30)