3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-hexyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-oxohexyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[6-keto-6-(4-piperonylpiperazino)hexyl]-1,2,3-benzotriazin-4-one Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H29N5O4/c31-24(8-2-1-5-11-30-25(32)20-6-3-4-7-21(20)26-27-30)29-14-12-28(13-15-29)17-19-9-10-22-23(16-19)34-18-33-22/h3-4,6-7,9-10,16H,1-2,5,8,11-15,17-18H2