4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-(4-oxidanylbutyl)-7-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-(4-oxidanylbutyl)-7-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-N-(4-hydroxybutyl)-7-(trifluoromethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(4-hydroxybutyl)-7-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(4-hydroxybutyl)-7-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N-(4-hydroxybutyl)-7-(trifluoromethyl)quinoline-3-carboxamide Formula: C23H23ClF3N3O3 MolecularWeight: 481.89523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2C(=O)NCCCCO)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2C(=O)NCCCCO)C(F)(F)F)Cl

InChI

InChI=1S/C23H23ClF3N3O3/c1-33-20-7-4-14(10-18(20)24)12-30-21-16-6-5-15(23(25,26)27)11-19(16)29-13-17(21)22(32)28-8-2-3-9-31/h4-7,10-11,13,31H,2-3,8-9,12H2,1H3,(H,28,32)(H,29,30)