1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methyl-pyrazole-4-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C)OCC

InChI

InChI=1S/C21H22BrN3O3/c1-4-27-19-11-8-16(12-20(19)28-5-2)24-21(26)18-13-23-25(14(18)3)17-9-6-15(22)7-10-17/h6-13H,4-5H2,1-3H3,(H,24,26)