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

Systemtic Name: 1-(3-methylphenyl)-3-[1-(2-methylpropanoyl)-4-oxidanylidene-5-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: 1-[1-(2-methylpropanoyl)-4-oxo-5-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2-methyl-1-oxopropyl)-4-oxo-5-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-(3-methylphenyl)-3-[1-(2-methylpropanoyl)-4-oxo-5-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: 1-(1-isobutyryl-4-keto-5-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-(m-tolyl)urea Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-18(2)25(32)30-17-22(29-27(34)28-20-11-9-10-19(3)16-20)26(33)31(21-12-5-4-6-13-21)24-15-8-7-14-23(24)30/h4-16,18,22H,17H2,1-3H3,(H2,28,29,34)