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

Systemtic Name: 2-[2-oxidanylidene-1-(piperidin-4-ylmethyl)-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[2-oxo-1-(4-piperidylmethyl)-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-1-(4-piperidinylmethyl)-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[2-oxo-1-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[2-keto-1-(4-piperidylmethyl)-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C23H22N4O MolecularWeight: 370.44698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

Isomeric SMILES

C1CNCCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H22N4O/c24-14-18-5-1-2-6-20(18)21-13-19(22-7-3-4-10-26-22)16-27(23(21)28)15-17-8-11-25-12-9-17/h1-7,10,13,16-17,25H,8-9,11-12,15H2