4-[[[4-(2-cyanoethanoylamino)phenyl]carbonyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[4-(2-cyanoethanoylamino)phenyl]carbonyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[4-[(2-cyanoacetyl)amino]benzoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[4-[(2-cyanoacetyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[4-[(2-cyanoacetyl)amino]benzoyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H20N4O3/c1-22-19(26)15-5-3-14(4-6-15)13-24(2)20(27)16-7-9-17(10-8-16)23-18(25)11-12-21/h3-10H,11,13H2,1-2H3,(H,22,26)(H,23,25)