2-(4-methoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]quinoline-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(4-methoxyphenyl)cinchoninamide Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCCC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCCC4=O

InChI

InChI=1S/C26H29N3O3/c1-32-20-13-11-19(12-14-20)24-18-22(21-8-4-5-9-23(21)28-24)26(31)27-15-7-17-29-16-6-2-3-10-25(29)30/h4-5,8-9,11-14,18H,2-3,6-7,10,15-17H2,1H3,(H,27,31)