5-bromanyl-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide Openeye Name: N-[(E)-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylideneamino]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide Traditional Name: N-[(E)-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-5-bromo-2-furamide Formula: C28H21BrN4O3 MolecularWeight: 541.39534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3C=NNC(=O)C4=CC=C(O4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3/C=N/NC(=O)C4=CC=C(O4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H21BrN4O3/c29-26-16-15-25(36-26)28(34)31-30-17-22-18-33(23-9-5-2-6-10-23)32-27(22)21-11-13-24(14-12-21)35-19-20-7-3-1-4-8-20/h1-18H,19H2,(H,31,34)/b30-17+