ethyl 5-butyl-1-[(3-cyano-4-phenyl-phenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-1-[(3-cyano-4-phenyl-phenyl)methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-1-[(3-cyano-4-phenyl-phenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-1-[(3-cyano-4-phenylphenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-1-[(3-cyano-4-phenylphenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-1-(3-cyano-4-phenyl-benzyl)pyrazole-3-carboxylic acid ethyl ester Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)OCC

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)OCC

InChI

InChI=1S/C24H25N3O2/c1-3-5-11-21-15-23(24(28)29-4-2)26-27(21)17-18-12-13-22(20(14-18)16-25)19-9-7-6-8-10-19/h6-10,12-15H,3-5,11,17H2,1-2H3