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

Systemtic Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4O2S/c1-24-20(26)14-8-3-2-7-13(14)18(23-24)21(27)25-12-6-10-16(25)19-22-15-9-4-5-11-17(15)28-19/h2-5,7-9,11,16H,6,10,12H2,1H3/t16-/m1/s1