2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]phthalazin-1-one CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]methyl]phthalazin-1-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C21H20N4OS/c26-21-16-8-2-1-7-15(16)13-22-25(21)14-24-12-6-5-10-18(24)20-23-17-9-3-4-11-19(17)27-20/h1-4,7-9,11,13,18H,5-6,10,12,14H2/t18-/m0/s1