2-azanyl-N-[4-[[4-(6-oxidanylquinolin-5-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[4-[[4-(6-oxidanylquinolin-5-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(6-hydroxyquinoline-5-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[(6-hydroxy-5-quinolinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(6-hydroxyquinoline-5-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(6-hydroxyquinoline-5-carbonyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C29H28N6O4 MolecularWeight: 524.57042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CNC1)NC(=O)C2=CC(=NC=C2)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC5=C4C=CC=N5)O

Isomeric SMILES

C1CC(C(CNC1)NC(=O)C2=CC(=NC=C2)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC5=C4C=CC=N5)O

InChI

InChI=1S/C29H28N6O4/c30-25-15-19(11-14-33-25)29(39)35-23-16-31-12-2-4-22(23)34-28(38)18-7-5-17(6-8-18)27(37)26-20-3-1-13-32-21(20)9-10-24(26)36/h1,3,5-11,13-15,22-23,31,36H,2,4,12,16H2,(H2,30,33)(H,34,38)(H,35,39)