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

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-(4-piperonylpiperazino)propyl]-1,2,3-benzotriazin-4-one Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N5O3/c28-22-18-4-1-2-5-19(18)23-24-27(22)9-3-8-25-10-12-26(13-11-25)15-17-6-7-20-21(14-17)30-16-29-20/h1-2,4-7,14H,3,8-13,15-16H2