2-[2-[[[3-[1,1-bis(fluoranyl)ethyl]-2-chloranyl-phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[[3-[1,1-bis(fluoranyl)ethyl]-2-chloranyl-phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[[2-chloro-3-(1,1-difluoroethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[[2-chloro-3-(1,1-difluoroethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[[2-chloro-3-(1,1-difluoroethyl)phenyl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[[2-chloro-3-(1,1-difluoroethyl)benzyl]amino]methyl]pentylamino]-4-quinolone Formula: C24H28ClF2N3O MolecularWeight: 447.948426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClF2N3O/c1-3-7-16(13-28-15-17-8-6-10-19(23(17)25)24(2,26)27)14-29-22-12-21(31)18-9-4-5-11-20(18)30-22/h4-6,8-12,16,28H,3,7,13-15H2,1-2H3,(H2,29,30,31)