3-azanyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,5-dimethylpiperazin-1-yl)carbonyl-pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,5-dimethylpiperazin-1-yl)carbonyl-pyridine-2-carboxylic acid Openeye Name: 3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,5-dimethylpiperazine-1-carbonyl)pyridine-2-carboxylic acid CAS Name: 3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]-5-[(2,5-dimethyl-1-piperazinyl)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,5-dimethylpiperazine-1-carbonyl)pyridine-2-carboxylic acid Traditional Name: 3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,5-dimethylpiperazine-1-carbonyl)picolinic acid Formula: C21H20F3N5O3 MolecularWeight: 447.41041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C(=O)C2=CN=C(C(=C2C3=CC(=C(C=C3)C#N)C(F)(F)F)N)C(=O)O)C

Isomeric SMILES

CC1CNC(CN1C(=O)C2=CN=C(C(=C2C3=CC(=C(C=C3)C#N)C(F)(F)F)N)C(=O)O)C

InChI

InChI=1S/C21H20F3N5O3/c1-10-9-29(11(2)7-27-10)19(30)14-8-28-18(20(31)32)17(26)16(14)12-3-4-13(6-25)15(5-12)21(22,23)24/h3-5,8,10-11,27H,7,9,26H2,1-2H3,(H,31,32)