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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-[4-(dimethylamino)benzylidene]amino]pyrazole-3-carboxamide Formula: C20H20BrN5O MolecularWeight: 426.3097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5O/c1-25(2)18-9-5-15(6-10-18)13-22-23-20(27)19-11-12-26(24-19)14-16-3-7-17(21)8-4-16/h3-13H,14H2,1-2H3,(H,23,27)/b22-13+