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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methyl-4-pyrazolyl)phenyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-[3-(1-methylpyrazol-4-yl)benzyl]ethyl]benzamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=CC=C2)CC(C(=O)NCC#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=CC=C2)C[C@@H](C(=O)NCC#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O2/c1-27-15-19(14-25-27)18-9-5-6-16(12-18)13-20(22(29)24-11-10-23)26-21(28)17-7-3-2-4-8-17/h2-9,12,14-15,20H,11,13H2,1H3,(H,24,29)(H,26,28)/t20-/m0/s1