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

Systemtic Name: 2,3,6-tris(chloranyl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzamide Openeye Name: 2,3,6-trichloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]benzamide CAS Name: 2,3,6-trichloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]benzamide IUPAC Name: 2,3,6-trichloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzamide Traditional Name: 2,3,6-trichloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]benzamide Formula: C21H12Cl3N5O MolecularWeight: 456.71188

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl3N5O/c1-11-8-17(27-16-5-3-2-4-13(11)16)29-20(12(9-25)10-26-29)28-21(30)18-14(22)6-7-15(23)19(18)24/h2-8,10H,1H3,(H,28,30)