3-chloranyl-4-fluoranyl-N-[4-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]cyclohexyl]benzamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[4-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]cyclohexyl]benzamide Openeye Name: 3-chloro-4-fluoro-N-[4-[[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]amino]cyclohexyl]benzamide CAS Name: 3-chloro-4-fluoro-N-[4-[[2-methyl-6-(1-piperidinyl)-4-pyrimidinyl]amino]cyclohexyl]benzamide IUPAC Name: 3-chloro-4-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexyl]benzamide Traditional Name: 3-chloro-4-fluoro-N-[4-[(2-methyl-6-piperidino-pyrimidin-4-yl)amino]cyclohexyl]benzamide Formula: C23H29ClFN5O MolecularWeight: 445.960663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2CCC(CC2)NC(=O)C3=CC(=C(C=C3)F)Cl)N4CCCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2CCC(CC2)NC(=O)C3=CC(=C(C=C3)F)Cl)N4CCCCC4

InChI

InChI=1S/C23H29ClFN5O/c1-15-26-21(14-22(27-15)30-11-3-2-4-12-30)28-17-6-8-18(9-7-17)29-23(31)16-5-10-20(25)19(24)13-16/h5,10,13-14,17-18H,2-4,6-9,11-12H2,1H3,(H,29,31)(H,26,27,28)