1-[(4-bromophenyl)methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: N-[(E)-(2-benzyloxyphenyl)methyleneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: N-[(E)-(2-benzoxybenzylidene)amino]-1-(4-bromobenzyl)pyrazole-3-carboxamide Formula: C25H21BrN4O2 MolecularWeight: 489.36384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)C3=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN4O2/c26-22-12-10-19(11-13-22)17-30-15-14-23(29-30)25(31)28-27-16-21-8-4-5-9-24(21)32-18-20-6-2-1-3-7-20/h1-16H,17-18H2,(H,28,31)/b27-16+