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

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]butyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-(4-piperonylpiperazino)butyl]-1,2,3-benzotriazin-4-one Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N5O3/c29-23-19-5-1-2-6-20(19)24-25-28(23)10-4-3-9-26-11-13-27(14-12-26)16-18-7-8-21-22(15-18)31-17-30-21/h1-2,5-8,15H,3-4,9-14,16-17H2