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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-7-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide Formula: C19H15ClF3N3O2 MolecularWeight: 409.78951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClF3N3O2/c1-28-16-5-2-10(6-14(16)20)8-26-17-12-4-3-11(19(21,22)23)7-15(12)25-9-13(17)18(24)27/h2-7,9H,8H2,1H3,(H2,24,27)(H,25,26)