N-[4-[[4-(5-methyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride

Systemtic Name: N-[4-[[4-(5-methyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: N-[4-[[4-(2-hydroxy-5-methyl-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: N-[4-[[[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: N-[4-[[4-(2-hydroxy-5-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: N-[4-[[4-(2-hydroxy-5-methyl-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C27H29ClN4O4 MolecularWeight: 508.99656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4.ClH/c1-17-4-9-24(32)21(15-17)25(33)18-5-7-19(8-6-18)26(34)30-22-3-2-12-29-16-23(22)31-27(35)20-10-13-28-14-11-20;/h4-11,13-15,22-23,29,32H,2-3,12,16H2,1H3,(H,30,34)(H,31,35);1H