(2-oxidanylidenecyclopentyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidenecyclopentyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxocyclopentyl) 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-oxocyclopentyl) ester IUPAC Name: (2-oxocyclopentyl) 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (2-ketocyclopentyl) ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3CCCC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3CCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c1-15-10-12-16(13-11-15)21-18(22(26)27-20-9-5-8-19(20)25)14-24(23-21)17-6-3-2-4-7-17/h2-4,6-7,10-14,20H,5,8-9H2,1H3