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

Systemtic Name: 4-[1-methyl-2-oxidanylidene-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[1-methyl-2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[3-(hydrocinnamoylamino)-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H24N4O3/c1-30-21-10-6-5-9-20(21)23(18-12-14-19(15-13-18)24(27)32)29-25(26(30)33)28-22(31)16-11-17-7-3-2-4-8-17/h2-10,12-15,25H,11,16H2,1H3,(H2,27,32)(H,28,31)