[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14(2)23-20(26)15(3)28-21(27)18-13-25(17-9-5-4-6-10-17)24-19(18)16-8-7-11-22-12-16/h4-15H,1-3H3,(H,23,26)/t15-/m0/s1