5-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxidanylidene-propan-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxidanylidene-propan-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[(1S)-2-(cyanomethylamino)-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-oxo-ethyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methyl-4-pyrazolyl)phenyl]-1-oxopropan-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[(1S)-2-(cyanomethylamino)-2-keto-1-[3-(1-methylpyrazol-4-yl)benzyl]ethyl]-2-methyl-pyrazole-3-carboxamide Formula: C24H29N7O2 MolecularWeight: 447.53276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O2/c1-24(2,3)21-13-20(31(5)29-21)23(33)28-19(22(32)26-10-9-25)12-16-7-6-8-17(11-16)18-14-27-30(4)15-18/h6-8,11,13-15,19H,10,12H2,1-5H3,(H,26,32)(H,28,33)/t19-/m0/s1