[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3/c1-11(2)10-18-16(21)12(3)23-17(22)15-9-14(19-20-15)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,18,21)(H,19,20)/t12-/m0/s1