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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

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