3-(azepan-4-yl)-N,6-dimethyl-7-[[3-(trifluoromethyl)phenoxy]methyl]quinolin-2-amine

Systemtic Name: 3-(azepan-4-yl)-N,6-dimethyl-7-[[3-(trifluoromethyl)phenoxy]methyl]quinolin-2-amine Openeye Name: 3-(azepan-4-yl)-N,6-dimethyl-7-[[3-(trifluoromethyl)phenoxy]methyl]quinolin-2-amine CAS Name: 3-(4-azepanyl)-N,6-dimethyl-7-[[3-(trifluoromethyl)phenoxy]methyl]-2-quinolinamine IUPAC Name: 3-(azepan-4-yl)-N,6-dimethyl-7-[[3-(trifluoromethyl)phenoxy]methyl]quinolin-2-amine Traditional Name: [3-(azepan-4-yl)-6-methyl-7-[[3-(trifluoromethyl)phenoxy]methyl]-2-quinolyl]-methyl-amine Formula: C25H28F3N3O MolecularWeight: 443.50453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1COC3=CC=CC(=C3)C(F)(F)F)NC)C4CCCNCC4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1COC3=CC=CC(=C3)C(F)(F)F)NC)C4CCCNCC4

InChI

InChI=1S/C25H28F3N3O/c1-16-11-18-12-22(17-5-4-9-30-10-8-17)24(29-2)31-23(18)13-19(16)15-32-21-7-3-6-20(14-21)25(26,27)28/h3,6-7,11-14,17,30H,4-5,8-10,15H2,1-2H3,(H,29,31)