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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline Formula: C24H18F3NO2 MolecularWeight: 409.40043

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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)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C24H18F3NO2/c1-15-23(16-10-11-21-22(12-16)30-14-29-21)18-7-3-2-6-17(18)13-28(15)20-9-5-4-8-19(20)24(25,26)27/h2-12H,13-14H2,1H3