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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-(3-pyridin-4-ylphenyl)propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-2-oxo-1-[[3-(4-pyridyl)phenyl]methyl]ethyl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridin-4-ylphenyl)propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridin-4-ylphenyl)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-[3-(4-pyridyl)benzyl]ethyl]benzamide Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)NCC#N

InChI

InChI=1S/C23H20N4O2/c24-11-14-26-23(29)21(27-22(28)19-6-2-1-3-7-19)16-17-5-4-8-20(15-17)18-9-12-25-13-10-18/h1-10,12-13,15,21H,14,16H2,(H,26,29)(H,27,28)/t21-/m0/s1