3-acetamido-N-(5-chloranylpyridin-2-yl)-4-[[4-(dimethylamino)-3-oxidanyl-cyclohexyl]carbonylamino]-1-benzofuran-2-carboxamide

Systemtic Name: 3-acetamido-N-(5-chloranylpyridin-2-yl)-4-[[4-(dimethylamino)-3-oxidanyl-cyclohexyl]carbonylamino]-1-benzofuran-2-carboxamide Openeye Name: 3-acetamido-N-(5-chloro-2-pyridyl)-4-[[4-(dimethylamino)-3-hydroxy-cyclohexanecarbonyl]amino]benzofuran-2-carboxamide CAS Name: 3-acetamido-N-(5-chloro-2-pyridinyl)-4-[[[4-(dimethylamino)-3-hydroxycyclohexyl]-oxomethyl]amino]-2-benzofurancarboxamide IUPAC Name: 3-acetamido-N-(5-chloropyridin-2-yl)-4-[[4-(dimethylamino)-3-hydroxycyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide Traditional Name: 3-acetamido-N-(5-chloro-2-pyridyl)-4-[[4-(dimethylamino)-3-hydroxy-cyclohexanecarbonyl]amino]coumarilamide Formula: C25H28ClN5O5 MolecularWeight: 513.97332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(OC2=CC=CC(=C21)NC(=O)C3CCC(C(C3)O)N(C)C)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(OC2=CC=CC(=C21)NC(=O)C3CCC(C(C3)O)N(C)C)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN5O5/c1-13(32)28-22-21-16(29-24(34)14-7-9-17(31(2)3)18(33)11-14)5-4-6-19(21)36-23(22)25(35)30-20-10-8-15(26)12-27-20/h4-6,8,10,12,14,17-18,33H,7,9,11H2,1-3H3,(H,28,32)(H,29,34)(H,27,30,35)