ethyl 5-cyano-6-[4-[(4-dimethylaminophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(4-dimethylaminophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(4-dimethylaminophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[4-(dimethylamino)anilino]-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(4-dimethylaminophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(4-dimethylaminophenyl)carbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C23H25F3N6O3 MolecularWeight: 490.47821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)N(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)N(C)C)C(F)(F)F

InChI

InChI=1S/C23H25F3N6O3/c1-4-35-21(33)18-13-15(14-27)20(29-19(18)23(24,25)26)31-9-11-32(12-10-31)22(34)28-16-5-7-17(8-6-16)30(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,28,34)