N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]pyrazole-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]pyrazole-4-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)Br)OC

InChI

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