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

Systemtic Name: 2-azanyl-N-[4-[[4-(2-methyl-5-oxidanyl-pyridin-4-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: 2-amino-N-[4-[[4-(5-hydroxy-2-methyl-pyridine-4-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: 2-amino-N-[4-[[[4-[(5-hydroxy-2-methyl-4-pyridinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: 2-amino-N-[4-[[4-(5-hydroxy-2-methylpyridine-4-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: 2-amino-N-[4-[[4-(5-hydroxy-2-methyl-isonicotinoyl)benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C26H29ClN6O4 MolecularWeight: 524.99926

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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)N)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O4.ClH/c1-15-11-19(22(33)14-30-15)24(34)16-4-6-17(7-5-16)25(35)31-20-3-2-9-28-13-21(20)32-26(36)18-8-10-29-23(27)12-18;/h4-8,10-12,14,20-21,28,33H,2-3,9,13H2,1H3,(H2,27,29)(H,31,35)(H,32,36);1H