2-azanyl-N-[4-[[4-(2,3-dimethoxy-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[4-[[4-(2,3-dimethoxy-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(6-hydroxy-2,3-dimethoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[(6-hydroxy-2,3-dimethoxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(6-hydroxy-2,3-dimethoxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(6-hydroxy-2,3-dimethoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C28H31N5O6 MolecularWeight: 533.57564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N)OC

InChI

InChI=1S/C28H31N5O6/c1-38-22-10-9-21(34)24(26(22)39-2)25(35)16-5-7-17(8-6-16)27(36)32-19-4-3-12-30-15-20(19)33-28(37)18-11-13-31-23(29)14-18/h5-11,13-14,19-20,30,34H,3-4,12,15H2,1-2H3,(H2,29,31)(H,32,36)(H,33,37)