2-[4-[6-(1,3-dihydroisoindol-2-yl)-6-oxidanylidene-hexyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[6-(1,3-dihydroisoindol-2-yl)-6-oxidanylidene-hexyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(6-isoindolin-2-yl-6-oxo-hexyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-[6-(1,3-dihydroisoindol-2-yl)-6-oxohexyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[6-(1,3-dihydroisoindol-2-yl)-6-oxohexyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(6-isoindolin-2-yl-6-keto-hexyl)piperazino]benzonitrile Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCC(=O)N2CC3=CC=CC=C3C2)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CCCCCC(=O)N2CC3=CC=CC=C3C2)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H30N4O/c26-18-21-8-5-6-11-24(21)28-16-14-27(15-17-28)13-7-1-2-12-25(30)29-19-22-9-3-4-10-23(22)20-29/h3-6,8-11H,1-2,7,12-17,19-20H2