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

Systemtic Name: 5-[3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)azepan-2-yl]-1,2,4-oxadiazole Openeye Name: 5-[3-(3-phenylpropyl)-1-(2-thienylmethyl)azepan-2-yl]-1,2,4-oxadiazole CAS Name: 5-[3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)-2-azepanyl]-1,2,4-oxadiazole IUPAC Name: 5-[3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)azepan-2-yl]-1,2,4-oxadiazole Traditional Name: 5-[3-(3-phenylpropyl)-1-(2-thenyl)azepan-2-yl]-1,2,4-oxadiazole Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)CCCC2=CC=CC=C2)C3=NC=NO3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C(C(C1)CCCC2=CC=CC=C2)C3=NC=NO3)CC4=CC=CS4

InChI

InChI=1S/C22H27N3OS/c1-2-8-18(9-3-1)10-6-12-19-11-4-5-14-25(16-20-13-7-15-27-20)21(19)22-23-17-24-26-22/h1-3,7-9,13,15,17,19,21H,4-6,10-12,14,16H2