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

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

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

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