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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4

InChI

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