2-chloranyl-N-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]carbamoyl]-6-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]carbamoyl]-6-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]carbamoyl]-6-fluoro-benzamide CAS Name: 2-chloro-N-[[[2-(2-cyanoethyl)-5-phenyl-3-pyrazolyl]amino]-oxomethyl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[[2-(2-cyanoethyl)-5-phenylpyrazol-3-yl]carbamoyl]-6-fluorobenzamide Traditional Name: 2-chloro-N-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]carbamoyl]-6-fluoro-benzamide Formula: C20H15ClFN5O2 MolecularWeight: 411.816803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)NC(=O)C3=C(C=CC=C3Cl)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)NC(=O)C3=C(C=CC=C3Cl)F)CCC#N

InChI

InChI=1S/C20H15ClFN5O2/c21-14-8-4-9-15(22)18(14)19(28)25-20(29)24-17-12-16(13-6-2-1-3-7-13)26-27(17)11-5-10-23/h1-4,6-9,12H,5,11H2,(H2,24,25,28,29)