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

Systemtic Name: 3-cyanopropyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2/c1-16-9-11-17(12-10-16)20-19(21(25)26-14-6-5-13-22)15-24(23-20)18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,14H2,1H3