2-[4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(2E)-2-indazolin-3-ylidenebenzimidazol-5-yl]piperazino]acetic acid Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=CC3=N/C(=C/4\C5=CC=CC=C5NN4)/N=C3C=C2

InChI

InChI=1S/C20H20N6O2/c27-18(28)12-25-7-9-26(10-8-25)13-5-6-16-17(11-13)22-20(21-16)19-14-3-1-2-4-15(14)23-24-19/h1-6,11,23-24H,7-10,12H2,(H,27,28)/b20-19+