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

Systemtic Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(3R)-3-(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)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c1-25-21(27)16-9-3-2-8-15(16)19(24-25)22(28)26-12-6-7-14(13-26)20-23-17-10-4-5-11-18(17)29-20/h2-5,8-11,14H,6-7,12-13H2,1H3/t14-/m1/s1