1-ethoxycarbonyloxyethyl 2,7-diethyl-5-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole-6-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 2,7-diethyl-5-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole-6-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 2,7-diethyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole-6-carboxylate CAS Name: 2,7-diethyl-5-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-6-pyrazolo[1,5-b][1,2,4]triazolecarboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 2,7-diethyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole-6-carboxylate Traditional Name: 2,7-diethyl-5-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]pyrazolo[1,5-b][1,2,4]triazole-6-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C47H44N8O5 MolecularWeight: 800.90286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N2C1=NC(=N2)CC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC(C)OC(=O)OCC

Isomeric SMILES

CCC1=C(N(N2C1=NC(=N2)CC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC(C)OC(=O)OCC

InChI

InChI=1S/C47H44N8O5/c1-5-38-42(45(56)59-32(4)60-46(57)58-7-3)53(55-43(38)48-41(6-2)50-55)31-33-27-29-34(30-28-33)39-25-17-18-26-40(39)44-49-51-52-54(44)47(35-19-11-8-12-20-35,36-21-13-9-14-22-36)37-23-15-10-16-24-37/h8-30,32H,5-7,31H2,1-4H3