(2Z)-2-(1,2-dihydroindazol-3-ylidene)-N-[(5-methoxy-4-oxidanylidene-pyran-2-yl)methyl]benzimidazole-5-carboxamide

Systemtic Name: (2Z)-2-(1,2-dihydroindazol-3-ylidene)-N-[(5-methoxy-4-oxidanylidene-pyran-2-yl)methyl]benzimidazole-5-carboxamide Openeye Name: (2Z)-2-(1,2-dihydroindazol-3-ylidene)-N-[(5-methoxy-4-oxo-pyran-2-yl)methyl]benzimidazole-5-carboxamide CAS Name: (2Z)-2-(1,2-dihydroindazol-3-ylidene)-N-[(5-methoxy-4-oxo-2-pyranyl)methyl]-5-benzimidazolecarboxamide IUPAC Name: (2Z)-2-(1,2-dihydroindazol-3-ylidene)-N-[(5-methoxy-4-oxopyran-2-yl)methyl]benzimidazole-5-carboxamide Traditional Name: (2Z)-2-indazolin-3-ylidene-N-[(4-keto-5-methoxy-pyran-2-yl)methyl]benzimidazole-5-carboxamide Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=COC(=CC1=O)CNC(=O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2

Isomeric SMILES

COC1=COC(=CC1=O)CNC(=O)C2=CC3=N/C(=C\4/C5=CC=CC=C5NN4)/N=C3C=C2

InChI

InChI=1S/C22H17N5O4/c1-30-19-11-31-13(9-18(19)28)10-23-22(29)12-6-7-16-17(8-12)25-21(24-16)20-14-4-2-3-5-15(14)26-27-20/h2-9,11,26-27H,10H2,1H3,(H,23,29)/b21-20-