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

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-phenyl-cinchoninamide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c29-24-14-5-2-8-16-28(24)17-9-15-26-25(30)21-18-23(19-10-3-1-4-11-19)27-22-13-7-6-12-20(21)22/h1,3-4,6-7,10-13,18H,2,5,8-9,14-17H2,(H,26,30)