3-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-hexyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-6-oxohexyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[6-[4-(2-furoyl)piperazino]-6-keto-hexyl]-1,2,3-benzotriazin-4-one Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H25N5O4/c28-20(25-12-14-26(15-13-25)22(30)19-9-6-16-31-19)10-2-1-5-11-27-21(29)17-7-3-4-8-18(17)23-24-27/h3-4,6-9,16H,1-2,5,10-15H2