4-(3-fluorophenyl)-2,6-dimethyl-5-piperazin-1-ylcarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(3-fluorophenyl)-2,6-dimethyl-5-piperazin-1-ylcarbonyl-pyridine-3-carboxylic acid Openeye Name: 4-(3-fluorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)pyridine-3-carboxylic acid CAS Name: 4-(3-fluorophenyl)-2,6-dimethyl-5-[oxo(1-piperazinyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(3-fluorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)pyridine-3-carboxylic acid Traditional Name: 4-(3-fluorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)nicotinic acid Formula: C19H20FN3O3 MolecularWeight: 357.378803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)N2CCNCC2)C3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)N2CCNCC2)C3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C19H20FN3O3/c1-11-15(18(24)23-8-6-21-7-9-23)17(13-4-3-5-14(20)10-13)16(19(25)26)12(2)22-11/h3-5,10,21H,6-9H2,1-2H3,(H,25,26)