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

Systemtic Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1-benzofuran-2-carboxamide Openeye Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzofuran-2-carboxamide CAS Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-benzofurancarboxamide IUPAC Name: N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-benzofuran-2-carboxamide Traditional Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]coumarilamide Formula: C26H20N4O2 MolecularWeight: 420.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O2/c1-18-8-7-10-20(14-18)25-21(17-30(29-25)22-11-3-2-4-12-22)16-27-28-26(31)24-15-19-9-5-6-13-23(19)32-24/h2-17H,1H3,(H,28,31)/b27-16+