1-(4-cyanophenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-phenyl-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-phenyl-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O2/c1-2-6-17-18(20(24)25)19(15-7-4-3-5-8-15)23(22-17)16-11-9-14(13-21)10-12-16/h3-5,7-12H,2,6H2,1H3,(H,24,25)