4-azanyl-5-chloranyl-3-nonan-3-yl-2-pent-3-yn-2-yloxy-benzamide dihydrochloride

Systemtic Name: 4-azanyl-5-chloranyl-3-nonan-3-yl-2-pent-3-yn-2-yloxy-benzamide dihydrochloride Openeye Name: 4-amino-5-chloro-3-(1-ethylheptyl)-2-(1-methylbut-2-ynoxy)benzamide dihydrochloride CAS Name: 4-amino-5-chloro-3-nonan-3-yl-2-pent-3-yn-2-yloxybenzamide dihydrochloride IUPAC Name: 4-amino-5-chloro-3-nonan-3-yl-2-pent-3-yn-2-yloxybenzamide dihydrochloride Traditional Name: 4-amino-5-chloro-3-(1-ethylheptyl)-2-(1-methylbut-2-ynoxy)benzamide dihydrochloride Formula: C21H33Cl3N2O2 MolecularWeight: 451.85792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)C1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C)C#CC.Cl.Cl

Isomeric SMILES

CCCCCCC(CC)C1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C)C#CC.Cl.Cl

InChI

InChI=1S/C21H31ClN2O2.2ClH/c1-5-8-9-10-12-15(7-3)18-19(23)17(22)13-16(21(24)25)20(18)26-14(4)11-6-2;;/h13-15H,5,7-10,12,23H2,1-4H3,(H2,24,25);2*1H