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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(3,4,5-trimethoxybenzylidene)amino]pyrazole-3-carboxamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O4/c1-28-18-10-15(11-19(29-2)20(18)30-3)12-23-24-21(27)17-8-9-26(25-17)13-14-4-6-16(22)7-5-14/h4-12H,13H2,1-3H3,(H,24,27)/b23-12+