1-[(3,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine Openeye Name: 1-allyl-4-[(3,4-dimethoxyphenyl)-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]piperazine CAS Name: 1-[(3,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]-4-prop-2-enylpiperazine IUPAC Name: 1-[(3,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine Traditional Name: 1-allyl-4-[(3,4-dimethoxyphenyl)-[1-(2-thenyl)tetrazol-5-yl]methyl]piperazine Formula: C22H28N6O2S MolecularWeight: 440.56172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)CC=C)OC

InChI

InChI=1S/C22H28N6O2S/c1-4-9-26-10-12-27(13-11-26)21(17-7-8-19(29-2)20(15-17)30-3)22-23-24-25-28(22)16-18-6-5-14-31-18/h4-8,14-15,21H,1,9-13,16H2,2-3H3