3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2-methoxy-5-methylphenyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C21H22BrN3O2/c1-13-8-9-19(27-4)18(10-13)23-21(26)17-7-5-6-16(11-17)12-25-15(3)20(22)14(2)24-25/h5-11H,12H2,1-4H3,(H,23,26)