2-(2,4-dimethoxyphenyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dimethoxyphenyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethoxyphenyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethoxyphenyl)-6-methyl-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethoxyphenyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethoxyphenyl)-N-[(3S)-2-ketoazepan-3-yl]-6-methyl-cinchoninamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CCCCNC3=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N[C@H]3CCCCNC3=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H27N3O4/c1-15-7-10-20-18(12-15)19(24(29)28-21-6-4-5-11-26-25(21)30)14-22(27-20)17-9-8-16(31-2)13-23(17)32-3/h7-10,12-14,21H,4-6,11H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1