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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C27H26N4O3/c1-31-22-12-6-5-11-21(22)24(19-14-16-20(17-15-19)25(28)33)30-26(27(31)34)29-23(32)13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,14-17,26H,7,10,13H2,1H3,(H2,28,33)(H,29,32)