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

Systemtic Name: 3,6-bis(chloranyl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: 3,6-dichloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-methoxy-benzamide CAS Name: 3,6-dichloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: 3,6-dichloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-methoxybenzamide Traditional Name: 3,6-dichloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-methoxy-benzamide Formula: C22H15Cl2N5O2 MolecularWeight: 452.2928

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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(=C4OC)Cl)Cl

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC(=C4OC)Cl)Cl

InChI

InChI=1S/C22H15Cl2N5O2/c1-12-9-18(27-17-6-4-3-5-14(12)17)29-21(13(10-25)11-26-29)28-22(30)19-15(23)7-8-16(24)20(19)31-2/h3-9,11H,1-2H3,(H,28,30)