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

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O2S/c1-26-23(29)16-9-3-2-8-15(16)18(25-26)14-21(28)27-13-7-6-11-19(27)22-24-17-10-4-5-12-20(17)30-22/h2-5,8-10,12,19H,6-7,11,13-14H2,1H3/t19-/m1/s1