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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C)C#CC.Cl

Isomeric SMILES

CCCCCCCCC1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C)C#CC.Cl

InChI

InChI=1S/C20H29ClN2O2.ClH/c1-4-6-7-8-9-10-12-15-18(22)17(21)13-16(20(23)24)19(15)25-14(3)11-5-2;/h13-14H,4,6-10,12,22H2,1-3H3,(H2,23,24);1H