N-[3-[3-(1-adamantylamino)propoxy]-5-(trifluoromethyl)phenyl]-2-methyl-quinolin-4-amine

Systemtic Name: N-[3-[3-(1-adamantylamino)propoxy]-5-(trifluoromethyl)phenyl]-2-methyl-quinolin-4-amine Openeye Name: N-[3-[3-(1-adamantylamino)propoxy]-5-(trifluoromethyl)phenyl]-2-methyl-quinolin-4-amine CAS Name: N-[3-[3-(1-adamantylamino)propoxy]-5-(trifluoromethyl)phenyl]-2-methyl-4-quinolinamine IUPAC Name: N-[3-[3-(1-adamantylamino)propoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine Traditional Name: 1-adamantyl-[3-[3-[(2-methyl-4-quinolyl)amino]-5-(trifluoromethyl)phenoxy]propyl]amine Formula: C30H34F3N3O MolecularWeight: 509.60567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC(=C3)C(F)(F)F)OCCCNC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC(=C3)C(F)(F)F)OCCCNC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H34F3N3O/c1-19-9-28(26-5-2-3-6-27(26)35-19)36-24-13-23(30(31,32)33)14-25(15-24)37-8-4-7-34-29-16-20-10-21(17-29)12-22(11-20)18-29/h2-3,5-6,9,13-15,20-22,34H,4,7-8,10-12,16-18H2,1H3,(H,35,36)