tert-butyl 4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(2Z)-2-(1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(2Z)-2-indazolin-3-ylidenebenzimidazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=N/C(=C\4/C5=CC=CC=C5NN4)/N=C3C=C2

InChI

InChI=1S/C24H26N6O3/c1-24(2,3)33-23(32)30-12-10-29(11-13-30)22(31)15-8-9-18-19(14-15)26-21(25-18)20-16-6-4-5-7-17(16)27-28-20/h4-9,14,27-28H,10-13H2,1-3H3/b21-20-