2-[[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-[6-(dimethylamino)-3-pyridyl]phenoxy]-1-piperidyl]methyl]benzonitrile CAS Name: 2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[4-[6-(dimethylamino)-3-pyridyl]phenoxy]piperidino]methyl]benzonitrile Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=C4C#N

Isomeric SMILES

CN(C)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C26H28N4O/c1-29(2)26-12-9-22(18-28-26)20-7-10-24(11-8-20)31-25-13-15-30(16-14-25)19-23-6-4-3-5-21(23)17-27/h3-12,18,25H,13-16,19H2,1-2H3