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

Systemtic Name: N-[4-[[4-(2-fluoranyl-3,6-dimethoxy-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-(2-fluoro-3,6-dimethoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[(2-fluoro-3,6-dimethoxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(2-fluoro-3,6-dimethoxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(2-fluoro-3,6-dimethoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C28H29FN4O5 MolecularWeight: 520.552063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O5/c1-37-22-9-10-23(38-2)25(29)24(22)26(34)17-5-7-18(8-6-17)27(35)32-20-4-3-13-31-16-21(20)33-28(36)19-11-14-30-15-12-19/h5-12,14-15,20-21,31H,3-4,13,16H2,1-2H3,(H,32,35)(H,33,36)