ethyl 5-butyl-2-(3-cyanophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-(3-cyanophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(3-cyanophenyl)pyrazole-3-carboxylate CAS Name: 5-butyl-2-(3-cyanophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-(3-cyanophenyl)pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(3-cyanophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)C(=O)OCC)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCC1=NN(C(=C1)C(=O)OCC)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H19N3O2/c1-3-5-8-14-11-16(17(21)22-4-2)20(19-14)15-9-6-7-13(10-15)12-18/h6-7,9-11H,3-5,8H2,1-2H3