2-[4-[[6-butyl-2-oxidanylidene-3-(piperidin-1-ylmethyl)pyridin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[6-butyl-2-oxidanylidene-3-(piperidin-1-ylmethyl)pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-2-oxo-3-(1-piperidylmethyl)-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-2-oxo-3-(1-piperidinylmethyl)-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-2-oxo-3-(piperidin-1-ylmethyl)pyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-2-keto-3-(piperidinomethyl)-1-pyridyl]methyl]phenyl]benzonitrile Formula: C29H33N3O MolecularWeight: 439.59182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CN4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CN4CCCCC4

InChI

InChI=1S/C29H33N3O/c1-2-3-10-27-17-16-26(22-31-18-7-4-8-19-31)29(33)32(27)21-23-12-14-24(15-13-23)28-11-6-5-9-25(28)20-30/h5-6,9,11-17H,2-4,7-8,10,18-19,21-22H2,1H3