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

Systemtic Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4O2S/c26-19-15-8-2-1-7-14(15)18(23-24-19)21(27)25-11-5-6-13(12-25)20-22-16-9-3-4-10-17(16)28-20/h1-4,7-10,13H,5-6,11-12H2,(H,24,26)/t13-/m1/s1