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

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

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

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