1-[3-(2,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile

Systemtic Name: 1-[3-(2,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(2,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[3-(2,5-dimethoxyphenyl)-1-piperazinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(2,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(2,5-dimethoxyphenyl)piperazino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4/c1-29-16-5-6-21(30-2)19(9-16)20-14-28(8-7-26-20)24-18-11-23(32-4)22(31-3)10-17(18)15(12-25)13-27-24/h5-6,9-11,13,20,26H,7-8,14H2,1-4H3