(3R)-3-methyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-4H-isochromen-1-one

Systemtic Name: (3R)-3-methyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-4H-isochromen-1-one Openeye Name: (3R)-3-methyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]isochroman-1-one CAS Name: (3R)-3-methyl-3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-methyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-4H-isochromen-1-one Traditional Name: (3R)-3-methyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]isochroman-1-one Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-20(12-14-4-2-3-5-16(14)18(28)30-20)19(29)27-10-8-26(9-11-27)17-7-6-15(13-25-17)21(22,23)24/h2-7,13H,8-12H2,1H3/t20-/m1/s1