4-[1-methyl-3-[3-(4-methylphenyl)propanoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide

Systemtic Name: 4-[1-methyl-3-[3-(4-methylphenyl)propanoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[1-methyl-2-oxo-3-[3-(p-tolyl)propanoylamino]-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[1-methyl-3-[[3-(4-methylphenyl)-1-oxopropyl]amino]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[1-methyl-3-[3-(4-methylphenyl)propanoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[2-keto-1-methyl-3-[3-(p-tolyl)propanoylamino]-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(=O)N)C

InChI

InChI=1S/C27H26N4O3/c1-17-7-9-18(10-8-17)11-16-23(32)29-26-27(34)31(2)22-6-4-3-5-21(22)24(30-26)19-12-14-20(15-13-19)25(28)33/h3-10,12-15,26H,11,16H2,1-2H3,(H2,28,33)(H,29,32)