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

Systemtic Name: N-[4-[[4-(6-oxidanylquinolin-5-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-(6-hydroxyquinoline-5-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[(6-hydroxy-5-quinolinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(6-hydroxyquinoline-5-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(6-hydroxyquinoline-5-carbonyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H27N5O4/c35-25-10-9-22-21(3-1-14-32-22)26(25)27(36)18-5-7-19(8-6-18)28(37)33-23-4-2-13-31-17-24(23)34-29(38)20-11-15-30-16-12-20/h1,3,5-12,14-16,23-24,31,35H,2,4,13,17H2,(H,33,37)(H,34,38)