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

Systemtic Name: 3-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-(2,3,4-trimethoxybenzyl)-1H-pyrazole-5-carboxamide Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C20H20BrN3O4/c1-26-17-9-6-13(18(27-2)19(17)28-3)11-22-20(25)16-10-15(23-24-16)12-4-7-14(21)8-5-12/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)