[2-[[3-(2-cyanopyridin-4-yl)-3-oxidanylidene-propanoyl]amino]-4-fluoranyl-5-pyrrolidin-1-yl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(2-cyanopyridin-4-yl)-3-oxidanylidene-propanoyl]amino]-4-fluoranyl-5-pyrrolidin-1-yl-phenyl]carbamic acid Openeye Name: [2-[[3-(2-cyano-4-pyridyl)-3-oxo-propanoyl]amino]-4-fluoro-5-pyrrolidin-1-yl-phenyl]carbamic acid CAS Name: [2-[[3-(2-cyano-4-pyridinyl)-1,3-dioxopropyl]amino]-4-fluoro-5-(1-pyrrolidinyl)phenyl]carbamic acid IUPAC Name: [2-[[3-(2-cyanopyridin-4-yl)-3-oxopropanoyl]amino]-4-fluoro-5-pyrrolidin-1-ylphenyl]carbamic acid Traditional Name: [2-[[3-(2-cyano-4-pyridyl)-3-keto-propanoyl]amino]-4-fluoro-5-pyrrolidino-phenyl]carbamic acid Formula: C20H18FN5O4 MolecularWeight: 411.386423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2F)NC(=O)CC(=O)C3=CC(=NC=C3)C#N)NC(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2F)NC(=O)CC(=O)C3=CC(=NC=C3)C#N)NC(=O)O

InChI

InChI=1S/C20H18FN5O4/c21-14-8-15(16(25-20(29)30)9-17(14)26-5-1-2-6-26)24-19(28)10-18(27)12-3-4-23-13(7-12)11-22/h3-4,7-9,25H,1-2,5-6,10H2,(H,24,28)(H,29,30)