3-(4-bromophenyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-(4-ethoxy-3-methoxy-benzyl)-N-methyl-1H-pyrazole-5-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H22BrN3O3/c1-4-28-19-10-5-14(11-20(19)27-3)13-25(2)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)