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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(2,4-dimethoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(2,4-dimethoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(2,4-dimethoxyanilino)cinchoninamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4)OC

InChI

InChI=1S/C26H32N4O3/c1-32-19-11-12-23(24(17-19)33-2)29-25-18-21(20-9-5-6-10-22(20)28-25)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)