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

Systemtic Name: 6,7-dimethoxy-1-[3-[4-methoxy-3-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-[4-methoxy-3-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-[4-methoxy-3-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-[4-methoxy-3-(trifluoromethyl)phenyl]piperazino]isoquinoline-4-carbonitrile Formula: C24H23F3N4O3 MolecularWeight: 472.45963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CCN2)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C#N)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2CN(CCN2)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C#N)C(F)(F)F

InChI

InChI=1S/C24H23F3N4O3/c1-32-20-5-4-14(8-18(20)24(25,26)27)19-13-31(7-6-29-19)23-17-10-22(34-3)21(33-2)9-16(17)15(11-28)12-30-23/h4-5,8-10,12,19,29H,6-7,13H2,1-3H3