2-(4-acetamidophenyl)-N-[3-(azepan-1-yl)butyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-acetamidophenyl)-N-[3-(azepan-1-yl)butyl]quinoline-4-carboxamide Openeye Name: 2-(4-acetamidophenyl)-N-[3-(azepan-1-yl)butyl]quinoline-4-carboxamide CAS Name: 2-(4-acetamidophenyl)-N-[3-(1-azepanyl)butyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-acetamidophenyl)-N-[3-(azepan-1-yl)butyl]quinoline-4-carboxamide Traditional Name: 2-(4-acetamidophenyl)-N-[3-(azepan-1-yl)butyl]cinchoninamide Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)NC(=O)C)N4CCCCCC4

Isomeric SMILES

CC(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)NC(=O)C)N4CCCCCC4

InChI

InChI=1S/C28H34N4O2/c1-20(32-17-7-3-4-8-18-32)15-16-29-28(34)25-19-27(31-26-10-6-5-9-24(25)26)22-11-13-23(14-12-22)30-21(2)33/h5-6,9-14,19-20H,3-4,7-8,15-18H2,1-2H3,(H,29,34)(H,30,33)