4-[2-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(1,3-benzothiazole-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=NC3=CC=CC=C3S2)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)C2=NC3=CC=CC=C3S2)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H20N4O3S/c28-20(13-18-15-5-1-2-6-16(15)22(30)26-25-18)27-11-9-14(10-12-27)21(29)23-24-17-7-3-4-8-19(17)31-23/h1-8,14H,9-13H2,(H,26,30)