4-[[[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]carbonylamino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]carbonylamino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[[[(2E)-2-(1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[[(2E)-2-indazolin-3-ylidenebenzimidazole-5-carbonyl]amino]methyl]piperidine-1-carboxylic acid Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2)C(=O)O

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC3=N/C(=C/4\C5=CC=CC=C5NN4)/N=C3C=C2)C(=O)O

InChI

InChI=1S/C22H22N6O3/c29-21(23-12-13-7-9-28(10-8-13)22(30)31)14-5-6-17-18(11-14)25-20(24-17)19-15-3-1-2-4-16(15)26-27-19/h1-6,11,13,26-27H,7-10,12H2,(H,23,29)(H,30,31)/b20-19+