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

Systemtic Name: ethyl 5-cyano-6-[4-[(2-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(2-isopropylphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-(2-propan-2-ylanilino)methyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(o-cumenylcarbamoyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C24H26F3N5O3 MolecularWeight: 489.49015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(C)C)C(F)(F)F

InChI

InChI=1S/C24H26F3N5O3/c1-4-35-22(33)18-13-16(14-28)21(30-20(18)24(25,26)27)31-9-11-32(12-10-31)23(34)29-19-8-6-5-7-17(19)15(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,29,34)