methyl 8-(3,4-diphenylpyrazol-1-yl)octanoate

Systemtic Name: methyl 8-(3,4-diphenylpyrazol-1-yl)octanoate Openeye Name: methyl 8-(3,4-diphenylpyrazol-1-yl)octanoate CAS Name: 8-(3,4-diphenyl-1-pyrazolyl)octanoic acid methyl ester IUPAC Name: methyl 8-(3,4-diphenylpyrazol-1-yl)octanoate Traditional Name: 8-(3,4-diphenylpyrazol-1-yl)caprylic acid methyl ester Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCN1C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCN1C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2/c1-28-23(27)17-11-3-2-4-12-18-26-19-22(20-13-7-5-8-14-20)24(25-26)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3