1-[(4-bromanylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(3,4-diethoxybenzyl)pyrazole-3-carboxamide Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C22H24BrN3O4/c1-3-28-20-10-5-16(13-21(20)29-4-2)14-24-22(27)19-11-12-26(25-19)15-30-18-8-6-17(23)7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,24,27)