2-[2-[[[4-chloranyl-3-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[[4-chloranyl-3-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[[4-chloro-3-(trifluoromethyl)benzyl]amino]methyl]pentylamino]-4-quinolone Formula: C23H25ClF3N3O MolecularWeight: 451.91231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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