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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C19H23N3O3/c1-3-11-20-18(23)13(2)25-19(24)17-12-16(14-9-10-14)21-22(17)15-7-5-4-6-8-15/h4-8,12-14H,3,9-11H2,1-2H3,(H,20,23)/t13-/m0/s1