7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid

Systemtic Name: 7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid Openeye Name: 7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid CAS Name: 7-(3,4,5-triphenyl-1-pyrazolyl)heptanoic acid IUPAC Name: 7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid Traditional Name: 7-(3,4,5-triphenylpyrazol-1-yl)enanthic acid Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2/c31-25(32)20-12-1-2-13-21-30-28(24-18-10-5-11-19-24)26(22-14-6-3-7-15-22)27(29-30)23-16-8-4-9-17-23/h3-11,14-19H,1-2,12-13,20-21H2,(H,31,32)