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

Systemtic Name: 4-azanyl-5-chloranyl-3-octan-3-yl-2-pent-3-yn-2-yloxy-benzamide hydrochloride Openeye Name: 4-amino-5-chloro-3-(1-ethylhexyl)-2-(1-methylbut-2-ynoxy)benzamide hydrochloride CAS Name: 4-amino-5-chloro-3-octan-3-yl-2-pent-3-yn-2-yloxybenzamide hydrochloride IUPAC Name: 4-amino-5-chloro-3-octan-3-yl-2-pent-3-yn-2-yloxybenzamide hydrochloride Traditional Name: 4-amino-5-chloro-3-(1-ethylhexyl)-2-(1-methylbut-2-ynoxy)benzamide hydrochloride Formula: C20H30Cl2N2O2 MolecularWeight: 401.3704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O2.ClH/c1-5-8-9-11-14(7-3)17-18(22)16(21)12-15(20(23)24)19(17)25-13(4)10-6-2;/h12-14H,5,7-9,11,22H2,1-4H3,(H2,23,24);1H