1-(6-phenylhexyl)-3-(trifluoromethyloxy)isoquinoline

Systemtic Name: 1-(6-phenylhexyl)-3-(trifluoromethyloxy)isoquinoline Openeye Name: 1-(6-phenylhexyl)-3-(trifluoromethoxy)isoquinoline CAS Name: 1-(6-phenylhexyl)-3-(trifluoromethoxy)isoquinoline IUPAC Name: 1-(6-phenylhexyl)-3-(trifluoromethoxy)isoquinoline Traditional Name: 1-(6-phenylhexyl)-3-(trifluoromethoxy)isoquinoline Formula: C22H22F3NO MolecularWeight: 373.41139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC2=NC(=CC3=CC=CC=C32)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC2=NC(=CC3=CC=CC=C32)OC(F)(F)F

InChI

InChI=1S/C22H22F3NO/c23-22(24,25)27-21-16-18-13-8-9-14-19(18)20(26-21)15-7-2-1-4-10-17-11-5-3-6-12-17/h3,5-6,8-9,11-14,16H,1-2,4,7,10,15H2