ethyl 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-methyl-2-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-methyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H22ClF3N4O3 MolecularWeight: 494.89399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C23H22ClF3N4O3/c1-3-34-22(33)18-19(15-6-4-5-7-17(15)29(2)21(18)32)30-8-10-31(11-9-30)20-16(24)12-14(13-28-20)23(25,26)27/h4-7,12-13H,3,8-11H2,1-2H3