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

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-(4-piperonylpiperazino)ethyl]-1,2,3-benzotriazin-4-one Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N5O3/c27-21-17-3-1-2-4-18(17)22-23-26(21)12-11-24-7-9-25(10-8-24)14-16-5-6-19-20(13-16)29-15-28-19/h1-6,13H,7-12,14-15H2