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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

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