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

Systemtic Name: methyl 1-butyl-5-methyl-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazole-4-carboxylate Openeye Name: methyl 1-butyl-5-methyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate CAS Name: 1-butyl-5-methyl-3-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-5-methyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 1-butyl-5-methyl-3-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]pyrazole-4-carboxylic acid methyl ester Formula: C43H40N6O2 MolecularWeight: 672.8167

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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)OC)C

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)OC)C

InChI

InChI=1S/C43H40N6O2/c1-4-5-29-48-31(2)40(42(50)51-3)39(45-48)30-32-25-27-33(28-26-32)37-23-15-16-24-38(37)41-44-47-49(46-41)43(34-17-9-6-10-18-34,35-19-11-7-12-20-35)36-21-13-8-14-22-36/h6-28H,4-5,29-30H2,1-3H3