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

Systemtic Name: 2-azanyl-N-[4-[[4-(2-fluoranyl-3-methoxy-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C27H28FN5O5 MolecularWeight: 521.540123

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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)N)F

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)F

InChI

InChI=1S/C27H28FN5O5/c1-38-21-9-8-20(34)23(24(21)28)25(35)15-4-6-16(7-5-15)26(36)32-18-3-2-11-30-14-19(18)33-27(37)17-10-12-31-22(29)13-17/h4-10,12-13,18-19,30,34H,2-3,11,14H2,1H3,(H2,29,31)(H,32,36)(H,33,37)