2-methyl-4-[1-[1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidin-4-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[1-[(2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidin-4-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[1-[(2-oxo-1H-pyridin-3-yl)methyl]-4-piperidyl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[1-[(2-oxo-1H-pyridin-3-yl)methyl]-4-piperidinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]hexyl]benzonitrile Traditional Name: 4-[1-[1-[(2-keto-1H-pyridin-3-yl)methyl]-4-piperidyl]hexyl]-2-methyl-benzonitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)CC2=CC=CNC2=O)C3=CC(=C(C=C3)C#N)C

Isomeric SMILES

CCCCCC(C1CCN(CC1)CC2=CC=CNC2=O)C3=CC(=C(C=C3)C#N)C

InChI

InChI=1S/C25H33N3O/c1-3-4-5-8-24(21-9-10-22(17-26)19(2)16-21)20-11-14-28(15-12-20)18-23-7-6-13-27-25(23)29/h6-7,9-10,13,16,20,24H,3-5,8,11-12,14-15,18H2,1-2H3,(H,27,29)