3-[(4-azanylcyclohexyl)carbonylamino]-N-(5-chloranylpyridin-2-yl)-1-benzofuran-2-carboxamide dihydrochloride

Systemtic Name: 3-[(4-azanylcyclohexyl)carbonylamino]-N-(5-chloranylpyridin-2-yl)-1-benzofuran-2-carboxamide dihydrochloride Openeye Name: 3-[(4-aminocyclohexanecarbonyl)amino]-N-(5-chloro-2-pyridyl)benzofuran-2-carboxamide dihydrochloride CAS Name: 3-[[(4-aminocyclohexyl)-oxomethyl]amino]-N-(5-chloro-2-pyridinyl)-2-benzofurancarboxamide dihydrochloride IUPAC Name: 3-[(4-aminocyclohexanecarbonyl)amino]-N-(5-chloropyridin-2-yl)-1-benzofuran-2-carboxamide dihydrochloride Traditional Name: 3-[(4-aminocyclohexanecarbonyl)amino]-N-(5-chloro-2-pyridyl)coumarilamide dihydrochloride Formula: C21H23Cl3N4O3 MolecularWeight: 485.79132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl)N.Cl.Cl

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl)N.Cl.Cl

InChI

InChI=1S/C21H21ClN4O3.2ClH/c22-13-7-10-17(24-11-13)25-21(28)19-18(15-3-1-2-4-16(15)29-19)26-20(27)12-5-8-14(23)9-6-12;;/h1-4,7,10-12,14H,5-6,8-9,23H2,(H,26,27)(H,24,25,28);2*1H