[2-oxidanylidene-2-(pentylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C20H26ClN3O3/c1-4-5-8-11-22-18(25)13-27-20(26)19-14(2)23-24(15(19)3)12-16-9-6-7-10-17(16)21/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,22,25)