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

Systemtic Name: 6,7-dimethoxy-1-[3-(4-methylphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-(p-tolyl)piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-(4-methylphenyl)-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-(4-methylphenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(p-tolyl)piperazino]isoquinoline-4-carbonitrile Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN(CCN2)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2CN(CCN2)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C#N

InChI

InChI=1S/C23H24N4O2/c1-15-4-6-16(7-5-15)20-14-27(9-8-25-20)23-19-11-22(29-3)21(28-2)10-18(19)17(12-24)13-26-23/h4-7,10-11,13,20,25H,8-9,14H2,1-3H3