4-[2-oxidanylidene-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[2-(3-thienyl)pyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[2-(3-thiophenyl)-1-pyrrolidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[2-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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