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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-4-25(13-14-5-10-19(27-2)20(11-14)28-3)21(26)18-12-17(23-24-18)15-6-8-16(22)9-7-15/h5-12H,4,13H2,1-3H3,(H,23,24)