N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)CN3C=CC=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)CN3C=CC=N3)Br)OC

InChI

InChI=1S/C21H22BrN3O3/c1-27-19-12-17(18(22)13-20(19)28-2)8-10-23-21(26)16-6-4-15(5-7-16)14-25-11-3-9-24-25/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,23,26)