1-[(4-bromanylphenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O4/c1-14(18-12-17(27-2)8-9-20(18)28-3)23-21(26)19-10-11-25(24-19)13-29-16-6-4-15(22)5-7-16/h4-12,14H,13H2,1-3H3,(H,23,26)