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

Systemtic Name: 2-azanyl-N-[4-[[4-(2-fluoranyl-3-methyl-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-methyl-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: 2-amino-N-[4-[[[4-[(2-fluoro-6-hydroxy-3-methylphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-methyl-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C27H29ClFN5O4 MolecularWeight: 542.001663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N)F.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N)F.Cl

InChI

InChI=1S/C27H28FN5O4.ClH/c1-15-4-9-21(34)23(24(15)28)25(35)16-5-7-17(8-6-16)26(36)32-19-3-2-11-30-14-20(19)33-27(37)18-10-12-31-22(29)13-18;/h4-10,12-13,19-20,30,34H,2-3,11,14H2,1H3,(H2,29,31)(H,32,36)(H,33,37);1H