5-phenethyl-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-phenethyl-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-phenethyl-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-phenethyl-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-phenethyl-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-phenethyl-1-phenyl-pyrazole-3-carboxylic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=NN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O2/c21-18(22)17-13-16(12-11-14-7-3-1-4-8-14)20(19-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22)