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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

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