2,3,6-tris(chloranyl)-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]benzamide

Systemtic Name: 2,3,6-tris(chloranyl)-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]benzamide Openeye Name: 2,3,6-trichloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]benzamide CAS Name: 2,3,6-trichloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]benzamide IUPAC Name: 2,3,6-trichloro-N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]benzamide Traditional Name: 2,3,6-trichloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]benzamide Formula: C22H14Cl3N5O2 MolecularWeight: 486.73786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

InChI

InChI=1S/C22H14Cl3N5O2/c1-11-8-17(28-20-13(11)4-3-5-16(20)32-2)30-21(12(9-26)10-27-30)29-22(31)18-14(23)6-7-15(24)19(18)25/h3-8,10H,1-2H3,(H,29,31)