(2S)-N-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[5-methyl-2-(2-pyridinyl)-3-pyrazolyl]-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-5-keto-N-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]-1-phthalidyl-pyrrolidine-2-carboxamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2CCC(=O)N2C3C4=CC=CC=C4C(=O)O3)C5=CC=CC=N5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)[C@@H]2CCC(=O)N2C3C4=CC=CC=C4C(=O)O3)C5=CC=CC=N5

InChI

InChI=1S/C22H19N5O4/c1-13-12-18(27(25-13)17-8-4-5-11-23-17)24-20(29)16-9-10-19(28)26(16)21-14-6-2-3-7-15(14)22(30)31-21/h2-8,11-12,16,21H,9-10H2,1H3,(H,24,29)/t16-,21?/m0/s1