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

Systemtic Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c25-18-13-7-2-1-6-12(13)17(22-23-18)20(26)24-11-5-9-15(24)19-21-14-8-3-4-10-16(14)27-19/h1-4,6-8,10,15H,5,9,11H2,(H,23,25)/t15-/m1/s1