(1S,3S)-N1-(7-methoxy-4-methyl-quinolin-2-yl)-N3-[[3-(trifluoromethyloxy)phenyl]methyl]cyclohexane-1,3-diamine

Systemtic Name: (1S,3S)-N1-(7-methoxy-4-methyl-quinolin-2-yl)-N3-[[3-(trifluoromethyloxy)phenyl]methyl]cyclohexane-1,3-diamine Openeye Name: (1S,3S)-N1-(7-methoxy-4-methyl-2-quinolyl)-N3-[[3-(trifluoromethoxy)phenyl]methyl]cyclohexane-1,3-diamine CAS Name: (1S,3S)-N1-(7-methoxy-4-methyl-2-quinolinyl)-N3-[[3-(trifluoromethoxy)phenyl]methyl]cyclohexane-1,3-diamine IUPAC Name: (1S,3S)-1-N-(7-methoxy-4-methylquinolin-2-yl)-3-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclohexane-1,3-diamine Traditional Name: (7-methoxy-4-methyl-2-quinolyl)-[(1S,3S)-3-[[3-(trifluoromethoxy)benzyl]amino]cyclohexyl]amine Formula: C25H28F3N3O2 MolecularWeight: 459.50393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCCC(C3)NCC4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CCC[C@@H](C3)NCC4=CC(=CC=C4)OC(F)(F)F

InChI

InChI=1S/C25H28F3N3O2/c1-16-11-24(31-23-14-20(32-2)9-10-22(16)23)30-19-7-4-6-18(13-19)29-15-17-5-3-8-21(12-17)33-25(26,27)28/h3,5,8-12,14,18-19,29H,4,6-7,13,15H2,1-2H3,(H,30,31)/t18-,19-/m0/s1