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6,7-dimethoxy-2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one

6,7-dimethoxy-2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name:6,7-dimethoxy-2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one
Openeye Name:6,7-dimethoxy-2-[1-(trifluoromethylsulfonyl)-3-piperidyl]-3,4-dihydroisoquinolin-1-one
CAS Name:6,7-dimethoxy-2-[1-(trifluoromethylsulfonyl)-3-piperidinyl]-3,4-dihydroisoquinolin-1-one
IUPAC Name:6,7-dimethoxy-2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one
Traditional Name:6,7-dimethoxy-2-(1-triflyl-3-piperidyl)-3,4-dihydroisocarbostyril
Formula: C17H21F3N2O5S
MolecularWeight: 422.41925
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)S(=O)(=O)C(F)(F)F)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)S(=O)(=O)C(F)(F)F)OC


InChI

InChI=1S/C17H21F3N2O5S/c1-26-14-8-11-5-7-22(16(23)13(11)9-15(14)27-2)12-4-3-6-21(10-12)28(24,25)17(18,19)20/h8-9,12H,3-7,10H2,1-2H3


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