8-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoic acid

Systemtic Name: 8-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoic acid Openeye Name: 8-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoic acid CAS Name: 8-[6-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazinyl]octanoic acid IUPAC Name: 8-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoic acid Traditional Name: 8-[6-keto-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]caprylic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCCCCCC(=O)O

InChI

InChI=1S/C25H26N4O3/c30-22-16-15-20(26-29(22)18-9-3-1-2-7-14-23(31)32)24-21-13-8-10-17-28(21)27-25(24)19-11-5-4-6-12-19/h4-6,8,10-13,15-17H,1-3,7,9,14,18H2,(H,31,32)