1-methyl-3-(1-methyl-3-phenylmethoxy-pyrazol-4-yl)-5-(2-phenylphenyl)-2-(triphenylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 1-methyl-3-(1-methyl-3-phenylmethoxy-pyrazol-4-yl)-5-(2-phenylphenyl)-2-(triphenylmethyl)-1,2,3,4-tetrazole Openeye Name: 3-(3-benzyloxy-1-methyl-pyrazol-4-yl)-1-methyl-5-(2-phenylphenyl)-2-trityl-tetrazole CAS Name: 1-methyl-3-(1-methyl-3-phenylmethoxy-4-pyrazolyl)-5-(2-phenylphenyl)-2-(triphenylmethyl)tetrazole IUPAC Name: 1-methyl-3-(1-methyl-3-phenylmethoxypyrazol-4-yl)-5-(2-phenylphenyl)-2-trityltetrazole Traditional Name: 3-(3-benzoxy-1-methyl-pyrazol-4-yl)-1-methyl-5-(2-phenylphenyl)-2-trityl-tetrazole Formula: C44H38N6O MolecularWeight: 666.81212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OCC2=CC=CC=C2)N3N=C(N(N3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7C8=CC=CC=C8

Isomeric SMILES

CN1C=C(C(=N1)OCC2=CC=CC=C2)N3N=C(N(N3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7C8=CC=CC=C8

InChI

InChI=1S/C44H38N6O/c1-47-32-41(43(46-47)51-33-34-20-8-3-9-21-34)49-45-42(40-31-19-18-30-39(40)35-22-10-4-11-23-35)48(2)50(49)44(36-24-12-5-13-25-36,37-26-14-6-15-27-37)38-28-16-7-17-29-38/h3-32H,33H2,1-2H3