N-(2-aminocarbonyl-4-cyano-6-methyl-phenyl)-5-bromanyl-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide

Systemtic Name: N-(2-aminocarbonyl-4-cyano-6-methyl-phenyl)-5-bromanyl-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide Openeye Name: 5-bromo-N-(2-carbamoyl-4-cyano-6-methyl-phenyl)-2-(3-chloro-2-pyridyl)pyrazole-3-carboxamide CAS Name: 5-bromo-N-(2-carbamoyl-4-cyano-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-pyrazolecarboxamide IUPAC Name: 5-bromo-N-(2-carbamoyl-4-cyano-6-methylphenyl)-2-(3-chloropyridin-2-yl)pyrazole-3-carboxamide Traditional Name: 5-bromo-N-(2-carbamoyl-4-cyano-6-methyl-phenyl)-2-(3-chloro-2-pyridyl)pyrazole-3-carboxamide Formula: C18H12BrClN6O2 MolecularWeight: 459.68388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)N)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)N)C#N

InChI

InChI=1S/C18H12BrClN6O2/c1-9-5-10(8-21)6-11(16(22)27)15(9)24-18(28)13-7-14(19)25-26(13)17-12(20)3-2-4-23-17/h2-7H,1H3,(H2,22,27)(H,24,28)