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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)O

InChI

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