3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]isochroman-1-one Formula: C20H17ClF3N3O3 MolecularWeight: 439.81549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H17ClF3N3O3/c21-15-10-13(20(22,23)24)11-25-17(15)26-5-7-27(8-6-26)18(28)16-9-12-3-1-2-4-14(12)19(29)30-16/h1-4,10-11,16H,5-9H2