N2-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2,2-dimethylpropyl)-8-methoxy-quinoline-2,4-diamine

Systemtic Name: N2-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2,2-dimethylpropyl)-8-methoxy-quinoline-2,4-diamine Openeye Name: N2-(3-chloro-4-fluoro-phenyl)-N4-(2,2-dimethylpropyl)-8-methoxy-quinoline-2,4-diamine CAS Name: N2-(3-chloro-4-fluorophenyl)-N4-(2,2-dimethylpropyl)-8-methoxyquinoline-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,2-dimethylpropyl)-8-methoxyquinoline-2,4-diamine Traditional Name: [2-(3-chloro-4-fluoro-anilino)-8-methoxy-4-quinolyl]-neopentyl-amine Formula: C21H23ClFN3O MolecularWeight: 387.878223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=CC(=NC2=C1C=CC=C2OC)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)CNC1=CC(=NC2=C1C=CC=C2OC)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H23ClFN3O/c1-21(2,3)12-24-17-11-19(25-13-8-9-16(23)15(22)10-13)26-20-14(17)6-5-7-18(20)27-4/h5-11H,12H2,1-4H3,(H2,24,25,26)