3-cyanopropyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2/c21-13-7-8-14-25-20(24)18-15-23(17-11-5-2-6-12-17)22-19(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,14H2