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

Systemtic Name: 3,4-bis(chloranyl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzamide Openeye Name: 3,4-dichloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]benzamide CAS Name: 3,4-dichloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzamide Traditional Name: 3,4-dichloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]benzamide Formula: C21H13Cl2N5O MolecularWeight: 422.26682

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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=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N5O/c1-12-8-19(26-18-5-3-2-4-15(12)18)28-20(14(10-24)11-25-28)27-21(29)13-6-7-16(22)17(23)9-13/h2-9,11H,1H3,(H,27,29)