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

Systemtic Name: 2-(3,4-dimethylphenyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-6-methyl-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(3S)-2-ketoazepan-3-yl]-6-methyl-cinchoninamide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c1-15-7-10-21-19(12-15)20(24(29)28-22-6-4-5-11-26-25(22)30)14-23(27-21)18-9-8-16(2)17(3)13-18/h7-10,12-14,22H,4-6,11H2,1-3H3,(H,26,30)(H,28,29)/t22-/m0/s1