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

Systemtic Name: 4-azanyl-5-chloranyl-3-nonan-4-yl-2-pent-3-yn-2-yloxy-benzamide hydrochloride Openeye Name: 4-amino-5-chloro-2-(1-methylbut-2-ynoxy)-3-(1-propylhexyl)benzamide hydrochloride CAS Name: 4-amino-5-chloro-3-nonan-4-yl-2-pent-3-yn-2-yloxybenzamide hydrochloride IUPAC Name: 4-amino-5-chloro-3-nonan-4-yl-2-pent-3-yn-2-yloxybenzamide hydrochloride Traditional Name: 4-amino-5-chloro-2-(1-methylbut-2-ynoxy)-3-(1-propylhexyl)benzamide hydrochloride Formula: C21H32Cl2N2O2 MolecularWeight: 415.39698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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