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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3OS/c1-2-7-16-25(15-6-1)17-19-13-14-20(27-19)22-23-21(24-26-22)12-8-11-18-9-4-3-5-10-18/h3-5,9-10,13-14H,1-2,6-8,11-12,15-17H2