[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-4-10-20-17(23)13(3)25-18(24)15-12(2)21-22(16(15)19)11-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,20,23)/t13-/m0/s1