2-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-6-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-6-fluoranyl-benzamide Openeye Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-6-fluoro-benzamide CAS Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-6-fluorobenzamide Traditional Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-6-fluoro-benzamide Formula: C21H13ClFN5O MolecularWeight: 405.812223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H13ClFN5O/c1-12-9-18(26-17-8-3-2-5-14(12)17)28-20(13(10-24)11-25-28)27-21(29)19-15(22)6-4-7-16(19)23/h2-9,11H,1H3,(H,27,29)