[2-(hexylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-4-5-6-10-13-21-18(24)14-26-20(25)19-15(2)22-23(16(19)3)17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H,21,24)