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

Systemtic Name: ethyl 5-cyano-6-[4-(naphthalen-2-ylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(2-naphthylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(2-naphthalenylamino)-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(naphthalen-2-ylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(2-naphthylcarbamoyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C25H22F3N5O3 MolecularWeight: 497.46909

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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=CC4=CC=CC=C4C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3)C(F)(F)F

InChI

InChI=1S/C25H22F3N5O3/c1-2-36-23(34)20-14-18(15-29)22(31-21(20)25(26,27)28)32-9-11-33(12-10-32)24(35)30-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-14H,2,9-12H2,1H3,(H,30,35)