1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid CAS Name: 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(6-keto-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]nipecotic acid Formula: C17H16F3N3O3 MolecularWeight: 367.32245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H16F3N3O3/c18-17(19,20)12-8-10(13-4-6-15(24)22-21-13)3-5-14(12)23-7-1-2-11(9-23)16(25)26/h3-6,8,11H,1-2,7,9H2,(H,22,24)(H,25,26)