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

Systemtic Name: 1-[3-(3,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(3,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[3-(3,5-dimethoxyphenyl)-1-piperazinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(3,5-dimethoxyphenyl)piperazin-1-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(3,5-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(=CC(=C1)C2CN(CCN2)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4/c1-29-17-7-15(8-18(9-17)30-2)21-14-28(6-5-26-21)24-20-11-23(32-4)22(31-3)10-19(20)16(12-25)13-27-24/h7-11,13,21,26H,5-6,14H2,1-4H3