N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-1-yl]-N-methyl-ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-1-yl]-N-methyl-ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-1-yl]-N-methyl-ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[3-(1-imidazolyl)-1,2,4-thiadiazol-5-yl]-1-pyrrolidinyl]-N-methylethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-1-yl]-N-methylethanamine Traditional Name: 2-[2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidino]ethyl-methyl-piperonyl-amine Formula: C20H24N6O2S MolecularWeight: 412.50856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCCC1C2=NC(=NS2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CCN1CCCC1C2=NC(=NS2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N6O2S/c1-24(12-15-4-5-17-18(11-15)28-14-27-17)9-10-25-7-2-3-16(25)19-22-20(23-29-19)26-8-6-21-13-26/h4-6,8,11,13,16H,2-3,7,9-10,12,14H2,1H3