2-[2-[[[2-chloranyl-5-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[[2-chloranyl-5-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[[2-chloro-5-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[[2-chloro-5-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[[2-chloro-5-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[[2-chloro-5-(trifluoromethyl)benzyl]amino]methyl]pentylamino]-4-quinolone Formula: C23H25ClF3N3O MolecularWeight: 451.91231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNCC1=C(C=CC(=C1)C(F)(F)F)Cl)CNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCC(CNCC1=C(C=CC(=C1)C(F)(F)F)Cl)CNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H25ClF3N3O/c1-2-5-15(12-28-14-16-10-17(23(25,26)27)8-9-19(16)24)13-29-22-11-21(31)18-6-3-4-7-20(18)30-22/h3-4,6-11,15,28H,2,5,12-14H2,1H3,(H2,29,30,31)