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

Systemtic Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazino]isoquinoline-4-carbonitrile Formula: C23H24N4O3 MolecularWeight: 404.46166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3/c1-28-17-6-4-5-15(9-17)20-14-27(8-7-25-20)23-19-11-22(30-3)21(29-2)10-18(19)16(12-24)13-26-23/h4-6,9-11,13,20,25H,7-8,14H2,1-3H3