5-butyl-2-[2-(hydroxymethyl)phenyl]-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-[2-(hydroxymethyl)phenyl]-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-[2-(hydroxymethyl)phenyl]-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-[2-(hydroxymethyl)phenyl]-4-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-[2-(hydroxymethyl)phenyl]-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(2-methylolphenyl)-4-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C46H41N7O2 MolecularWeight: 723.86344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8CO

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8CO

InChI

InChI=1S/C46H41N7O2/c1-2-3-27-43-48-52(42-26-16-13-17-36(42)33-54)45(55)51(43)32-34-28-30-35(31-29-34)40-24-14-15-25-41(40)44-47-49-50-53(44)46(37-18-7-4-8-19-37,38-20-9-5-10-21-38)39-22-11-6-12-23-39/h4-26,28-31,54H,2-3,27,32-33H2,1H3