(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c1-17-8-7-9-18(14-17)22-20(15-26(24-22)19-10-3-2-4-11-19)23(28)29-16-21(27)25-12-5-6-13-25/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3