N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-2-oxo-1-(4-pyridylmethyl)ethyl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]benzamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-(4-pyridylmethyl)ethyl]benzamide Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=NC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=NC=C2)C(=O)NCC#N

InChI

InChI=1S/C17H16N4O2/c18-8-11-20-17(23)15(12-13-6-9-19-10-7-13)21-16(22)14-4-2-1-3-5-14/h1-7,9-10,15H,11-12H2,(H,20,23)(H,21,22)/t15-/m0/s1