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

Systemtic Name: 4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[(2E)-2-(1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(2E)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[(2E)-2-indazolin-3-ylidenebenzimidazole-5-carbonyl]piperazine-1-carboxylic acid Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=N/C(=C/4\C5=CC=CC=C5NN4)/N=C3C=C2)C(=O)O

InChI

InChI=1S/C20H18N6O3/c27-19(25-7-9-26(10-8-25)20(28)29)12-5-6-15-16(11-12)22-18(21-15)17-13-3-1-2-4-14(13)23-24-17/h1-6,11,23-24H,7-10H2,(H,28,29)/b18-17+