2-pyridin-3-yl-1-[4-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-pyridin-3-yl-1-[4-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(3-pyridyl)-1-[4-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(3-pyridinyl)-1-[4-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-pyridin-3-yl-1-[4-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(3-pyridyl)-1-[4-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=NC=C2C3=CC=NC=C3)C(=O)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC=NC=C2C3=CC=NC=C3)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C21H21N5O/c27-20(12-16-2-1-7-23-13-16)26-10-5-18(6-11-26)21-19(14-24-15-25-21)17-3-8-22-9-4-17/h1-4,7-9,13-15,18H,5-6,10-12H2