2-[(2,4-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-[(2,4-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylanilino)-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylanilino)-N-[(4-fluorophenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylanilino)-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylanilino)-N-(4-fluorobenzyl)cinchoninamide Formula: C25H22FN3O MolecularWeight: 399.460083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3O/c1-16-7-12-22(17(2)13-16)28-24-14-21(20-5-3-4-6-23(20)29-24)25(30)27-15-18-8-10-19(26)11-9-18/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29)