3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[oxo-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-[4-(trifluoromethoxy)benzyl]piperazine-1-carbonyl]isochroman-1-one Formula: C22H21F3N2O4 MolecularWeight: 434.40835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H21F3N2O4/c23-22(24,25)31-17-7-5-15(6-8-17)14-26-9-11-27(12-10-26)20(28)19-13-16-3-1-2-4-18(16)21(29)30-19/h1-8,19H,9-14H2