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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-veratrylideneamino]pyrazole-3-carboxamide Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H19BrN4O3/c1-27-18-8-5-15(11-19(18)28-2)12-22-23-20(26)17-9-10-25(24-17)13-14-3-6-16(21)7-4-14/h3-12H,13H2,1-2H3,(H,23,26)/b22-12+