1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-phenyl-4-[(4-piperonylpiperazino)methyl]tetrazol-5-one Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)N(N=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)N(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H22N6O3/c27-20-25(21-22-26(20)17-4-2-1-3-5-17)14-24-10-8-23(9-11-24)13-16-6-7-18-19(12-16)29-15-28-18/h1-7,12H,8-11,13-15H2