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

Systemtic Name: 4-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[2-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[2-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H20N4O2S/c27-20(13-17-14-7-1-2-8-15(14)21(28)25-24-17)26-12-6-5-10-18(26)22-23-16-9-3-4-11-19(16)29-22/h1-4,7-9,11,18H,5-6,10,12-13H2,(H,25,28)