N-[[(4R,5S)-5-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]cyclohexen-1-yl]methyl]pyridin-2-amine

Systemtic Name: N-[[(4R,5S)-5-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]cyclohexen-1-yl]methyl]pyridin-2-amine Openeye Name: N-[[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl]pyridin-2-amine CAS Name: N-[[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)-1-cyclohexenyl]methyl]-2-pyridinamine IUPAC Name: N-[[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl]pyridin-2-amine Traditional Name: [(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl-(2-pyridyl)amine Formula: C18H18F3N3 MolecularWeight: 333.35083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C2=CC(=C(C=C2F)F)F)N)CNC3=CC=CC=N3

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C2=CC(=C(C=C2F)F)F)N)CNC3=CC=CC=N3

InChI

InChI=1S/C18H18F3N3/c19-14-9-16(21)15(20)8-13(14)12-5-4-11(7-17(12)22)10-24-18-3-1-2-6-23-18/h1-4,6,8-9,12,17H,5,7,10,22H2,(H,23,24)/t12-,17+/m1/s1