3-[4-(4-chloranyl-6-cycloheptyl-2-pyrazin-2-yl-pyrimidin-5-yl)-3,5-bis(fluoranyl)phenoxy]-N-methyl-propan-1-amine

Systemtic Name: 3-[4-(4-chloranyl-6-cycloheptyl-2-pyrazin-2-yl-pyrimidin-5-yl)-3,5-bis(fluoranyl)phenoxy]-N-methyl-propan-1-amine Openeye Name: 3-[4-(4-chloro-6-cycloheptyl-2-pyrazin-2-yl-pyrimidin-5-yl)-3,5-difluoro-phenoxy]-N-methyl-propan-1-amine CAS Name: 3-[4-[4-chloro-6-cycloheptyl-2-(2-pyrazinyl)-5-pyrimidinyl]-3,5-difluorophenoxy]-N-methyl-1-propanamine IUPAC Name: 3-[4-(4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidin-5-yl)-3,5-difluorophenoxy]-N-methylpropan-1-amine Traditional Name: 3-[4-(4-chloro-6-cycloheptyl-2-pyrazin-2-yl-pyrimidin-5-yl)-3,5-difluoro-phenoxy]propyl-methyl-amine Formula: C25H28ClF2N5O MolecularWeight: 487.972526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCOC1=CC(=C(C(=C1)F)C2=C(N=C(N=C2Cl)C3=NC=CN=C3)C4CCCCCC4)F

Isomeric SMILES

CNCCCOC1=CC(=C(C(=C1)F)C2=C(N=C(N=C2Cl)C3=NC=CN=C3)C4CCCCCC4)F

InChI

InChI=1S/C25H28ClF2N5O/c1-29-9-6-12-34-17-13-18(27)21(19(28)14-17)22-23(16-7-4-2-3-5-8-16)32-25(33-24(22)26)20-15-30-10-11-31-20/h10-11,13-16,29H,2-9,12H2,1H3