N-[1-(cyanomethylamino)-4-(3-cyanophenyl)-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-(3-cyanophenyl)-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-(3-cyanophenyl)propyl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-(3-cyanophenyl)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-(3-cyanophenyl)-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-(3-cyanophenyl)propyl]benzamide Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCC2=CC=CC(=C2)C#N)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCC2=CC=CC(=C2)C#N)C(=O)NCC#N

InChI

InChI=1S/C20H18N4O2/c21-11-12-23-20(26)18(24-19(25)17-7-2-1-3-8-17)10-9-15-5-4-6-16(13-15)14-22/h1-8,13,18H,9-10,12H2,(H,23,26)(H,24,25)