4-(5-naphthalen-2-yl-3-phenyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(5-naphthalen-2-yl-3-phenyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-[5-(2-naphthyl)-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-(2-naphthalenyl)-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-(5-naphthalen-2-yl-3-phenylpyrazol-1-yl)benzoic acid Traditional Name: 4-[5-(2-naphthyl)-3-phenyl-pyrazol-1-yl]benzoic acid Formula: C26H18N2O2 MolecularWeight: 390.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H18N2O2/c29-26(30)20-12-14-23(15-13-20)28-25(17-24(27-28)19-7-2-1-3-8-19)22-11-10-18-6-4-5-9-21(18)16-22/h1-17H,(H,29,30)