[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-4-13(5-2)20-15(23)11-25-18(24)16-12(3)21-22(17(16)19)14-9-7-6-8-10-14/h6-10,13H,4-5,11H2,1-3H3,(H,20,23)