1-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(2,2-dimethylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2,2-dimethyl-1-oxopropyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4C)C(=O)C(C)(C)C

InChI

InChI=1S/C31H34N4O4/c1-20-11-10-13-22(17-20)32-30(39)33-24-18-35(29(38)31(3,4)5)26-16-9-8-15-25(26)34(28(24)37)19-27(36)23-14-7-6-12-21(23)2/h6-17,24H,18-19H2,1-5H3,(H2,32,33,39)