3-methylbutyl 1,5-diphenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate

Systemtic Name: 3-methylbutyl 1,5-diphenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate Openeye Name: isopentyl 4-benzoyl-1,5-diphenyl-pyrazole-3-carboxylate CAS Name: 4-benzoyl-1,5-diphenyl-3-pyrazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-benzoyl-1,5-diphenylpyrazole-3-carboxylate Traditional Name: 4-benzoyl-1,5-diphenyl-pyrazole-3-carboxylic acid isoamyl ester Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3/c1-20(2)18-19-33-28(32)25-24(27(31)22-14-8-4-9-15-22)26(21-12-6-3-7-13-21)30(29-25)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3