(4E)-4-[3-(1H-benzimidazol-2-yl)-1,2-dihydroindazol-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[3-(1H-benzimidazol-2-yl)-1,2-dihydroindazol-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[3-(1H-benzimidazol-2-yl)-1,2-dihydroindazol-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[3-(1H-benzimidazol-2-yl)-1,2-dihydroindazol-6-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[3-(1H-benzimidazol-2-yl)-1,2-dihydroindazol-6-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[3-(1H-benzimidazol-2-yl)-1,2-dihydroindazol-6-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C21H16N4O2 MolecularWeight: 356.37734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=CC3=C(NNC3=C2)C4=NC5=CC=CC=C5N4)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/2\C=CC3=C(NNC3=C2)C4=NC5=CC=CC=C5N4)/C=CC1=O

InChI

InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,24-25H,1H3,(H,22,23)/b13-12+