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

Systemtic Name: 5-bromanyl-N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[(E)-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]coumarilamide Formula: C26H19BrN4O2 MolecularWeight: 499.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN4O2/c1-17-6-5-7-18(12-17)25-20(16-31(30-25)22-8-3-2-4-9-22)15-28-29-26(32)24-14-19-13-21(27)10-11-23(19)33-24/h2-16H,1H3,(H,29,32)/b28-15+