3-[(4-bromanylphenoxy)methyl]-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]benzamide

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]benzamide Openeye Name: 3-[(4-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]benzamide CAS Name: 3-[(4-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 3-[(4-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide Traditional Name: 3-[(4-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]benzamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(C)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C=C(C(=N1)C)C(C)NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O2/c1-4-26-13-21(16(3)25-26)15(2)24-22(27)18-7-5-6-17(12-18)14-28-20-10-8-19(23)9-11-20/h5-13,15H,4,14H2,1-3H3,(H,24,27)