[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2CCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2CCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O3/c1-13-17(18(20)23(22-13)11-14-7-3-2-4-8-14)19(25)26-12-16(24)21-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,24)