6,7-dimethoxy-1-[3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile

Systemtic Name: 6,7-dimethoxy-1-[3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-[4-(trifluoromethyl)phenyl]-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-[4-(trifluoromethyl)phenyl]piperazino]isoquinoline-4-carbonitrile Formula: C23H21F3N4O2 MolecularWeight: 442.43365

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=C(C=C4)C(F)(F)F)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=C(C=C4)C(F)(F)F)C#N)OC

InChI

InChI=1S/C23H21F3N4O2/c1-31-20-9-17-15(11-27)12-29-22(18(17)10-21(20)32-2)30-8-7-28-19(13-30)14-3-5-16(6-4-14)23(24,25)26/h3-6,9-10,12,19,28H,7-8,13H2,1-2H3