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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N)C)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N)C)C4=CC=CC=C4

InChI

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