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

Systemtic Name: N-[4-[[4-(2-methyl-5-oxidanyl-pyridin-4-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: N-[4-[[4-(5-hydroxy-2-methyl-pyridine-4-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: N-[4-[[[4-[(5-hydroxy-2-methyl-4-pyridinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: N-[4-[[4-(5-hydroxy-2-methylpyridine-4-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: N-[4-[[4-(5-hydroxy-2-methyl-isonicotinoyl)benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C26H28ClN5O4 MolecularWeight: 509.98462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O4.ClH/c1-16-13-20(23(32)15-29-16)24(33)17-4-6-18(7-5-17)25(34)30-21-3-2-10-28-14-22(21)31-26(35)19-8-11-27-12-9-19;/h4-9,11-13,15,21-22,28,32H,2-3,10,14H2,1H3,(H,30,34)(H,31,35);1H