5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-2H-1,2,4-triazin-3-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-2H-1,2,4-triazin-3-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-2H-1,2,4-triazin-3-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-2H-1,2,4-triazin-3-one IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-2H-1,2,4-triazin-3-one Traditional Name: 6-methyl-5-(4-piperonylpiperazino)-2H-1,2,4-triazin-3-one Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NNC(=O)N=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N5O3/c1-11-15(17-16(22)19-18-11)21-6-4-20(5-7-21)9-12-2-3-13-14(8-12)24-10-23-13/h2-3,8H,4-7,9-10H2,1H3,(H,17,19,22)