4-[6-(3-chloranyl-4-fluoranyl-phenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-(3-chloranyl-4-fluoranyl-phenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-(3-chloro-4-fluoro-phenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-(3-chloro-4-fluoro-phenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C22H27ClFN5O2 MolecularWeight: 447.933483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC=N3)OC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC=N3)OC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H27ClFN5O2/c1-15-13-28(9-10-29(15)22(30)27-16-5-3-2-4-6-16)20-12-21(26-14-25-20)31-17-7-8-19(24)18(23)11-17/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3,(H,27,30)