methyl 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C19H17ClF3N3O3 MolecularWeight: 427.80479

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF3N3O3/c1-29-18(28)13-4-2-3-12(9-13)17(27)26-7-5-25(6-8-26)16-15(20)10-14(11-24-16)19(21,22)23/h2-4,9-11H,5-8H2,1H3