3-methylbutyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-methylbutyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: isopentyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid isoamyl ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2/c1-16(2)13-14-26-22(25)20-15-24(19-7-5-4-6-8-19)23-21(20)18-11-9-17(3)10-12-18/h4-12,15-16H,13-14H2,1-3H3