N-[2-(azepan-1-yl)ethyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(2,4-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethylanilino)cinchoninamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4)C

InChI

InChI=1S/C26H32N4O/c1-19-11-12-23(20(2)17-19)28-25-18-22(21-9-5-6-10-24(21)29-25)26(31)27-13-16-30-14-7-3-4-8-15-30/h5-6,9-12,17-18H,3-4,7-8,13-16H2,1-2H3,(H,27,31)(H,28,29)