4-[(3E)-3-[4-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]benzoic acid

Systemtic Name: 4-[(3E)-3-[4-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]benzoic acid Openeye Name: 4-[(3E)-3-[4-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]benzoic acid CAS Name: 4-[(3E)-3-[4-(4-methyl-1-piperazinyl)-2-benzimidazolylidene]-1,2-dihydroindazol-6-yl]benzoic acid IUPAC Name: 4-[(3E)-3-[4-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]benzoic acid Traditional Name: 4-[(3E)-3-[4-(4-methylpiperazino)benzimidazol-2-ylidene]indazolin-6-yl]benzoic acid Formula: C26H24N6O2 MolecularWeight: 452.50776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C6=CC=C(C=C6)C(=O)O)NN4)N=C32

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC3=N/C(=C\4/C5=C(C=C(C=C5)C6=CC=C(C=C6)C(=O)O)NN4)/N=C32

InChI

InChI=1S/C26H24N6O2/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-9-18(15-21(19)29-30-23)16-5-7-17(8-6-16)26(33)34/h2-10,15,29-30H,11-14H2,1H3,(H,33,34)/b25-23+