[3-azanyl-4-[4-cyano-3-(trifluoromethyl)phenyl]pyridin-2-yl]carbonyl 2,5-dimethylpiperazine-1-carboxylate

Systemtic Name: [3-azanyl-4-[4-cyano-3-(trifluoromethyl)phenyl]pyridin-2-yl]carbonyl 2,5-dimethylpiperazine-1-carboxylate Openeye Name: [3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]pyridine-2-carbonyl] 2,5-dimethylpiperazine-1-carboxylate CAS Name: 2,5-dimethyl-1-piperazinecarboxylic acid [[3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]-2-pyridinyl]-oxomethyl] ester IUPAC Name: [3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]pyridine-2-carbonyl] 2,5-dimethylpiperazine-1-carboxylate Traditional Name: 2,5-dimethylpiperazine-1-carboxylic acid [3-amino-4-[4-cyano-3-(trifluoromethyl)phenyl]picolinoyl] ester Formula: C21H20F3N5O3 MolecularWeight: 447.41041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C(=O)OC(=O)C2=NC=CC(=C2N)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1CNC(CN1C(=O)OC(=O)C2=NC=CC(=C2N)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

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