5-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-(1-homoveratryl-4-piperidyl)-3-(3-thienyl)-1,2,4-oxadiazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(CC2)C3=NC(=NO3)C4=CSC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(CC2)C3=NC(=NO3)C4=CSC=C4)OC

InChI

InChI=1S/C21H25N3O3S/c1-25-18-4-3-15(13-19(18)26-2)5-9-24-10-6-16(7-11-24)21-22-20(23-27-21)17-8-12-28-14-17/h3-4,8,12-14,16H,5-7,9-11H2,1-2H3