4-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[(2R)-2-(2-thienyl)pyrrolidino]ethyl]-2H-phthalazin-1-one Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C18H17N3O2S/c22-17(21-9-3-7-15(21)16-8-4-10-24-16)11-14-12-5-1-2-6-13(12)18(23)20-19-14/h1-2,4-6,8,10,15H,3,7,9,11H2,(H,20,23)/t15-/m1/s1