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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2H-1,2,4-triazin-3-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2H-1,2,4-triazin-3-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2H-1,2,4-triazin-3-one IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2H-1,2,4-triazin-3-one Traditional Name: 5-(4-piperonylpiperazino)-2H-1,2,4-triazin-3-one Formula: C15H17N5O3 MolecularWeight: 315.32718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)NN=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)NN=C4

InChI

InChI=1S/C15H17N5O3/c21-15-17-14(8-16-18-15)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)23-10-22-12/h1-2,7-8H,3-6,9-10H2,(H,17,18,21)