4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline

Systemtic Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline Openeye Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline CAS Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline IUPAC Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline Traditional Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline Formula: C25H20F3NO3 MolecularWeight: 439.42641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2CN1C3=CC=CC=C3C(F)(F)F)C4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2CN1C3=CC=CC=C3C(F)(F)F)C4=CC5=C(C(=C4)OC)OCO5

InChI

InChI=1S/C25H20F3NO3/c1-15-23(17-11-21(30-2)24-22(12-17)31-14-32-24)18-8-4-3-7-16(18)13-29(15)20-10-6-5-9-19(20)25(26,27)28/h3-12H,13-14H2,1-2H3