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

Systemtic Name: 2-butyl-1-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-4H-imidazol-5-one Openeye Name: 2-butyl-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4H-imidazol-5-one CAS Name: 2-butyl-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4H-imidazol-5-one IUPAC Name: 2-butyl-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4H-imidazol-5-one Traditional Name: 2-butyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-2-imidazolin-4-one Formula: C21H22N6O MolecularWeight: 374.43898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NCC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

CCCCC1=NCC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

InChI

InChI=1S/C21H22N6O/c1-2-3-9-19-22-13-20(28)27(19)14-15-10-11-17(16-7-5-4-6-8-16)18(12-15)21-23-25-26-24-21/h4-8,10-12H,2-3,9,13-14H2,1H3,(H,23,24,25,26)