4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonyl-2H-phthalazin-1-one Openeye Name: 4-[2-(3-thienyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-[2-(3-thienyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c21-16-13-5-2-1-4-12(13)15(18-19-16)17(22)20-8-3-6-14(20)11-7-9-23-10-11/h1-2,4-5,7,9-10,14H,3,6,8H2,(H,19,21)