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

Systemtic Name: 5-[3-(2-phenylmethoxyethyl)-1-(thiophen-2-ylmethyl)azepan-2-yl]-1,2,4-oxadiazole Openeye Name: 5-[3-(2-benzyloxyethyl)-1-(2-thienylmethyl)azepan-2-yl]-1,2,4-oxadiazole CAS Name: 5-[3-(2-phenylmethoxyethyl)-1-(thiophen-2-ylmethyl)-2-azepanyl]-1,2,4-oxadiazole IUPAC Name: 5-[3-(2-phenylmethoxyethyl)-1-(thiophen-2-ylmethyl)azepan-2-yl]-1,2,4-oxadiazole Traditional Name: 5-[3-(2-benzoxyethyl)-1-(2-thenyl)azepan-2-yl]-1,2,4-oxadiazole Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)CCOCC2=CC=CC=C2)C3=NC=NO3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C(C(C1)CCOCC2=CC=CC=C2)C3=NC=NO3)CC4=CC=CS4

InChI

InChI=1S/C22H27N3O2S/c1-2-7-18(8-3-1)16-26-13-11-19-9-4-5-12-25(15-20-10-6-14-28-20)21(19)22-23-17-24-27-22/h1-3,6-8,10,14,17,19,21H,4-5,9,11-13,15-16H2