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

Systemtic Name: 5-bromanyl-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]furan-2-carboxamide Openeye Name: 5-bromo-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]furan-2-carboxamide CAS Name: 5-bromo-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide Traditional Name: 5-bromo-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-furamide Formula: C22H17BrN4O3 MolecularWeight: 465.29938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrN4O3/c1-29-18-9-7-15(8-10-18)21-16(14-27(26-21)17-5-3-2-4-6-17)13-24-25-22(28)19-11-12-20(23)30-19/h2-14H,1H3,(H,25,28)/b24-13+