1-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethyloxy)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethyloxy)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(trifluoromethoxy)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(trifluoromethoxy)phenyl]isoquinoline Formula: C22H22F3N3O MolecularWeight: 401.42479

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H22F3N3O/c1-2-27-11-13-28(14-12-27)21-19-6-4-3-5-17(19)15-20(26-21)16-7-9-18(10-8-16)29-22(23,24)25/h3-10,15H,2,11-14H2,1H3