5-butyl-2-(naphthalen-2-ylmethyl)-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-(naphthalen-2-ylmethyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(2-naphthylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(2-naphthalenylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(naphthalen-2-ylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(2-naphthylmethyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C31H29N7O MolecularWeight: 515.60826

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=NNN=N4)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H29N7O/c1-2-3-12-29-34-38(21-23-15-16-24-8-4-5-9-26(24)19-23)31(39)37(29)20-22-13-17-25(18-14-22)27-10-6-7-11-28(27)30-32-35-36-33-30/h4-11,13-19H,2-3,12,20-21H2,1H3,(H,32,33,35,36)