2-phenyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-phenyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-4-[(2S)-2-(2-thienyl)pyrrolidine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-phenyl-4-[(2S)-2-(2-thienyl)pyrrolidine-1-carbonyl]phthalazin-1-one Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H19N3O2S/c27-22-18-11-5-4-10-17(18)21(24-26(22)16-8-2-1-3-9-16)23(28)25-14-6-12-19(25)20-13-7-15-29-20/h1-5,7-11,13,15,19H,6,12,14H2/t19-/m0/s1