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

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-keto-3-(4-piperonylpiperazino)propyl]-1,2,3-benzotriazin-4-one Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N5O4/c28-21(7-8-27-22(29)17-3-1-2-4-18(17)23-24-27)26-11-9-25(10-12-26)14-16-5-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2