2-[2-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]methyl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]methyl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-[(1-benzyl-4-piperidyl)methyl]-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-1-[[1-(phenylmethyl)-4-piperidinyl]methyl]-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-[(1-benzyl-4-piperidyl)methyl]-2-keto-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C30H28N4O MolecularWeight: 460.56952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O/c31-19-25-10-4-5-11-27(25)28-18-26(29-12-6-7-15-32-29)22-34(30(28)35)21-24-13-16-33(17-14-24)20-23-8-2-1-3-9-23/h1-12,15,18,22,24H,13-14,16-17,20-21H2