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

Systemtic Name: 3-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-homoveratryl-N-methyl-1H-pyrazole-5-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-25(11-10-14-4-9-19(27-2)20(12-14)28-3)21(26)18-13-17(23-24-18)15-5-7-16(22)8-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)