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

Systemtic Name: tert-butyl 4-[[[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[[(2Z)-2-(1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[(2Z)-2-(1,2-dihydroindazol-3-ylidene)benzimidazole-5-carbonyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[(2Z)-2-indazolin-3-ylidenebenzimidazole-5-carbonyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=CC3=N/C(=C\4/C5=CC=CC=C5NN4)/N=C3C=C2

InChI

InChI=1S/C26H30N6O3/c1-26(2,3)35-25(34)32-12-10-16(11-13-32)15-27-24(33)17-8-9-20-21(14-17)29-23(28-20)22-18-6-4-5-7-19(18)30-31-22/h4-9,14,16,30-31H,10-13,15H2,1-3H3,(H,27,33)/b23-22-