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

Systemtic Name: 2-[4-[[6-butyl-2-oxidanylidene-3-[[(phenylmethyl)amino]methyl]pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-[(benzylamino)methyl]-6-butyl-2-oxo-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-2-oxo-3-[[(phenylmethyl)amino]methyl]-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-[(benzylamino)methyl]-6-butyl-2-oxopyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-[(benzylamino)methyl]-6-butyl-2-keto-1-pyridyl]methyl]phenyl]benzonitrile Formula: C31H31N3O MolecularWeight: 461.59734

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)CNCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CNCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O/c1-2-3-12-29-19-18-28(22-33-21-24-9-5-4-6-10-24)31(35)34(29)23-25-14-16-26(17-15-25)30-13-8-7-11-27(30)20-32/h4-11,13-19,33H,2-3,12,21-23H2,1H3