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

Systemtic Name: 1-(4-cyanophenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-phenethyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-phenethyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C25H19N3O2 MolecularWeight: 393.43726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19N3O2/c26-17-19-11-14-21(15-12-19)28-24(20-9-5-2-6-10-20)23(25(29)30)22(27-28)16-13-18-7-3-1-4-8-18/h1-12,14-15H,13,16H2,(H,29,30)