[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C18H22ClN3O3/c1-3-6-13(2)21-17(23)12-25-18(24)15-9-20-22(11-15)10-14-7-4-5-8-16(14)19/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3,(H,21,23)