diethyl 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: diethyl 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OCC)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OCC)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-4-7-11-18-14-16-20(17-15-18)27-23(19-12-9-8-10-13-19)21(24(28)30-5-2)22(26-27)25(29)31-6-3/h8-10,12-17H,4-7,11H2,1-3H3