ethyl 1-butyl-5-phenyl-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-butyl-5-phenyl-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-5-phenyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate CAS Name: 1-butyl-5-phenyl-3-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-5-phenyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 1-butyl-5-phenyl-3-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]pyrazole-4-carboxylic acid ethyl ester Formula: C49H44N6O2 MolecularWeight: 748.91266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C8=CC=CC=C8

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C8=CC=CC=C8

InChI

InChI=1S/C49H44N6O2/c1-3-5-34-54-46(38-20-10-6-11-21-38)45(48(56)57-4-2)44(51-54)35-36-30-32-37(33-31-36)42-28-18-19-29-43(42)47-50-53-55(52-47)49(39-22-12-7-13-23-39,40-24-14-8-15-25-40)41-26-16-9-17-27-41/h6-33H,3-5,34-35H2,1-2H3