1-(1,3-benzodioxol-5-ylmethyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-methyl-1-[1-(2-thienylmethyl)tetrazol-5-yl]butyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]butyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine Traditional Name: 1-[3-methyl-1-[1-(2-thenyl)tetrazol-5-yl]butyl]-4-piperonyl-piperazine Formula: C23H30N6O2S MolecularWeight: 454.5883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H30N6O2S/c1-17(2)12-20(23-24-25-26-29(23)15-19-4-3-11-32-19)28-9-7-27(8-10-28)14-18-5-6-21-22(13-18)31-16-30-21/h3-6,11,13,17,20H,7-10,12,14-16H2,1-2H3