4-methyl-3-naphthalen-1-yl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-naphthalen-1-yl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(1-naphthyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole CAS Name: 4-methyl-3-(1-naphthalenyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-naphthalen-1-yl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-4-methyl-5-(1-naphthyl)-1,2,4-triazole Formula: C26H33N3 MolecularWeight: 387.56032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H33N3/c1-3-4-7-13-25-14-17-26(18-15-25,19-16-25)24-28-27-23(29(24)2)22-12-8-10-20-9-5-6-11-21(20)22/h5-6,8-12H,3-4,7,13-19H2,1-2H3