7-bromanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-bromanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 7-bromo-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]benzofuran-2-carboxamide CAS Name: 7-bromo-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-benzofurancarboxamide IUPAC Name: 7-bromo-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 7-bromo-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]coumarilamide Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC4=C(O3)C(=CC=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC4=C(O3)C(=CC=C4)Br)C

InChI

InChI=1S/C21H18BrN3O2/c1-12-7-9-16(10-8-12)25-14(3)19(13(2)24-25)23-21(26)18-11-15-5-4-6-17(22)20(15)27-18/h4-11H,1-3H3,(H,23,26)