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

Systemtic Name: N-[4-[[4-(2,3-dimethoxy-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-(6-hydroxy-2,3-dimethoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[(6-hydroxy-2,3-dimethoxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(6-hydroxy-2,3-dimethoxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(6-hydroxy-2,3-dimethoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C28H30N4O6 MolecularWeight: 518.561

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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)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)OC

InChI

InChI=1S/C28H30N4O6/c1-37-23-10-9-22(33)24(26(23)38-2)25(34)17-5-7-18(8-6-17)27(35)31-20-4-3-13-30-16-21(20)32-28(36)19-11-14-29-15-12-19/h5-12,14-15,20-21,30,33H,3-4,13,16H2,1-2H3,(H,31,35)(H,32,36)