(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-18-10-11-21(14-19(18)2)24-22(16-28(26-24)15-20-8-4-3-5-9-20)25(30)31-17-23(29)27-12-6-7-13-27/h3-5,8-11,14,16H,6-7,12-13,15,17H2,1-2H3