8-(4,5-diphenylpyrazol-1-yl)octanoate

Systemtic Name: 8-(4,5-diphenylpyrazol-1-yl)octanoate Openeye Name: 8-(4,5-diphenylpyrazol-1-yl)octanoate CAS Name: 8-(4,5-diphenyl-1-pyrazolyl)octanoate IUPAC Name: 8-(4,5-diphenylpyrazol-1-yl)octanoate Traditional Name: 8-(4,5-diphenylpyrazol-1-yl)caprylate Formula: C23H25N2O2- MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2)CCCCCCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2)CCCCCCCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O2/c26-22(27)16-10-2-1-3-11-17-25-23(20-14-8-5-9-15-20)21(18-24-25)19-12-6-4-7-13-19/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,26,27)/p-1