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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c1-25-21(27)16-7-3-2-6-15(16)19(24-25)22(28)26-12-10-14(11-13-26)20-23-17-8-4-5-9-18(17)29-20/h2-9,14H,10-13H2,1H3