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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC5=CC=CC=C5C=C4

InChI

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