6,7-dimethoxy-1-(3-naphthalen-1-ylpiperazin-1-yl)isoquinoline-4-carbonitrile

Systemtic Name: 6,7-dimethoxy-1-(3-naphthalen-1-ylpiperazin-1-yl)isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-(1-naphthyl)piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-(1-naphthalenyl)-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-(3-naphthalen-1-ylpiperazin-1-yl)isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(1-naphthyl)piperazino]isoquinoline-4-carbonitrile Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=CC5=CC=CC=C54)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=CC5=CC=CC=C54)C#N)OC

InChI

InChI=1S/C26H24N4O2/c1-31-24-12-21-18(14-27)15-29-26(22(21)13-25(24)32-2)30-11-10-28-23(16-30)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,12-13,15,23,28H,10-11,16H2,1-2H3