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

Systemtic Name: 1-[3-(4-dimethylaminophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(4-dimethylaminophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[3-(4-dimethylaminophenyl)-1-piperazinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(4-dimethylaminophenyl)piperazin-1-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(4-dimethylaminophenyl)piperazino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C24H27N5O2 MolecularWeight: 417.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-28(2)18-7-5-16(6-8-18)21-15-29(10-9-26-21)24-20-12-23(31-4)22(30-3)11-19(20)17(13-25)14-27-24/h5-8,11-12,14,21,26H,9-10,15H2,1-4H3