2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C29H27ClN4O2 MolecularWeight: 499.00328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCC(CC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCC(CC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H27ClN4O2/c1-20-16-24(30)9-10-26(20)36-19-27(35)34-14-11-22(12-15-34)28-25(21-6-3-2-4-7-21)18-32-29(33-28)23-8-5-13-31-17-23/h2-10,13,16-18,22H,11-12,14-15,19H2,1H3