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

Systemtic Name: 2-[4-[(6-butyl-2-oxidanylidene-3-piperidin-1-yl-pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-2-oxo-3-(1-piperidyl)-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-2-oxo-3-(1-piperidinyl)-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(6-butyl-2-oxo-3-piperidin-1-ylpyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(6-butyl-2-keto-3-piperidino-1-pyridyl)methyl]phenyl]benzonitrile Formula: C28H31N3O MolecularWeight: 425.56524

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)N4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)N4CCCCC4

InChI

InChI=1S/C28H31N3O/c1-2-3-10-25-16-17-27(30-18-7-4-8-19-30)28(32)31(25)21-22-12-14-23(15-13-22)26-11-6-5-9-24(26)20-29/h5-6,9,11-17H,2-4,7-8,10,18-19,21H2,1H3