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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

InChI

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