2-(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)pyridine-4-carboxylic acid

Systemtic Name: 2-(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)pyridine-4-carboxylic acid Openeye Name: 2-(4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl)pyridine-4-carboxylic acid CAS Name: 2-(4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl)-4-pyridinecarboxylic acid IUPAC Name: 2-(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl)pyridine-4-carboxylic acid Traditional Name: 2-(4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl)isonicotinic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC(=C4)C(=O)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H23N3O3/c1-2-3-14-21-23(22-17-18(25(30)31)15-16-26-22)27(19-10-6-4-7-11-19)28(24(21)29)20-12-8-5-9-13-20/h4-13,15-17H,2-3,14H2,1H3,(H,30,31)