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

Systemtic Name: ethyl 5-cyano-6-[4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(3-cyanoanilino)-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(3-cyanophenyl)carbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C22H19F3N6O3 MolecularWeight: 472.41987

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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=CC(=C3)C#N)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N6O3/c1-2-34-20(32)17-11-15(13-27)19(29-18(17)22(23,24)25)30-6-8-31(9-7-30)21(33)28-16-5-3-4-14(10-16)12-26/h3-5,10-11H,2,6-9H2,1H3,(H,28,33)