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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-ketoazepan-1-yl)propyl]cinchoninamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4/c1-33-24-13-12-19(17-25(24)34-2)23-18-21(20-9-5-6-10-22(20)29-23)27(32)28-14-8-16-30-15-7-3-4-11-26(30)31/h5-6,9-10,12-13,17-18H,3-4,7-8,11,14-16H2,1-2H3,(H,28,32)