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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-4-5-11-20-17(23)13-25-19(24)18-14(2)21-22(15(18)3)12-16-9-7-6-8-10-16/h6-10H,4-5,11-13H2,1-3H3,(H,20,23)