3-phenethyl-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-oxadiazole hydrochloride

Systemtic Name: 3-phenethyl-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-oxadiazole hydrochloride Openeye Name: 3-phenethyl-5-[1-(2-thienylmethyl)azepan-4-yl]-1,2,4-oxadiazole hydrochloride CAS Name: 3-phenethyl-5-[1-(thiophen-2-ylmethyl)-4-azepanyl]-1,2,4-oxadiazole hydrochloride IUPAC Name: 3-phenethyl-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-oxadiazole hydrochloride Traditional Name: 3-phenethyl-5-[1-(2-thenyl)azepan-4-yl]-1,2,4-oxadiazole hydrochloride Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CS2)C3=NC(=NO3)CCC4=CC=CC=C4.Cl

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CS2)C3=NC(=NO3)CCC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H25N3OS.ClH/c1-2-6-17(7-3-1)10-11-20-22-21(25-23-20)18-8-4-13-24(14-12-18)16-19-9-5-15-26-19;/h1-3,5-7,9,15,18H,4,8,10-14,16H2;1H