2-butyl-5-(2-methyl-1-oxidanyl-propyl)-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carbonitrile

Systemtic Name: 2-butyl-5-(2-methyl-1-oxidanyl-propyl)-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carbonitrile Openeye Name: 2-butyl-5-(1-hydroxy-2-methyl-propyl)-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbonitrile CAS Name: 2-butyl-5-(1-hydroxy-2-methylpropyl)-3-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolecarbonitrile IUPAC Name: 2-butyl-5-(1-hydroxy-2-methylpropyl)-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbonitrile Traditional Name: 2-butyl-5-(1-hydroxy-2-methyl-propyl)-3-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazole-4-carbonitrile Formula: C45H43N7O MolecularWeight: 697.86922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=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#N)C(C(C)C)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=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#N)C(C(C)C)O

InChI

InChI=1S/C45H43N7O/c1-4-5-25-41-47-42(43(53)32(2)3)40(30-46)51(41)31-33-26-28-34(29-27-33)38-23-15-16-24-39(38)44-48-50-52(49-44)45(35-17-9-6-10-18-35,36-19-11-7-12-20-36)37-21-13-8-14-22-37/h6-24,26-29,32,43,53H,4-5,25,31H2,1-3H3