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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-[3-(1H-pyrazol-4-yl)phenyl]propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-2-oxo-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]ethyl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-[3-(1H-pyrazol-4-yl)phenyl]propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-[3-(1H-pyrazol-4-yl)phenyl]propan-2-yl]benzamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-[3-(1H-pyrazol-4-yl)benzyl]ethyl]benzamide Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c22-9-10-23-21(28)19(26-20(27)16-6-2-1-3-7-16)12-15-5-4-8-17(11-15)18-13-24-25-14-18/h1-8,11,13-14,19H,10,12H2,(H,23,28)(H,24,25)(H,26,27)/t19-/m0/s1