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

Systemtic Name: 5-butyl-2-(4-phenylmethoxyphenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 2-(4-benzyloxyphenyl)-5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(4-phenylmethoxyphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(4-phenylmethoxyphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 2-(4-benzoxyphenyl)-5-butyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C33H31N7O2 MolecularWeight: 557.64494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H31N7O2/c1-2-3-13-31-36-40(27-18-20-28(21-19-27)42-23-25-9-5-4-6-10-25)33(41)39(31)22-24-14-16-26(17-15-24)29-11-7-8-12-30(29)32-34-37-38-35-32/h4-12,14-21H,2-3,13,22-23H2,1H3,(H,34,35,37,38)