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

Systemtic Name: 3-(phenylmethoxymethyl)-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-oxadiazole Openeye Name: 3-(benzyloxymethyl)-5-[1-(2-thienylmethyl)azepan-4-yl]-1,2,4-oxadiazole CAS Name: 3-(phenylmethoxymethyl)-5-[1-(thiophen-2-ylmethyl)-4-azepanyl]-1,2,4-oxadiazole IUPAC Name: 3-(phenylmethoxymethyl)-5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-oxadiazole Traditional Name: 3-(benzoxymethyl)-5-[1-(2-thenyl)azepan-4-yl]-1,2,4-oxadiazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CS2)C3=NC(=NO3)COCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CS2)C3=NC(=NO3)COCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c1-2-6-17(7-3-1)15-25-16-20-22-21(26-23-20)18-8-4-11-24(12-10-18)14-19-9-5-13-27-19/h1-3,5-7,9,13,18H,4,8,10-12,14-16H2