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

Systemtic Name: 4-methyl-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-methyl-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-methyl-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-5-phenyl-1,2,4-triazole IUPAC Name: 4-methyl-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-4-methyl-5-phenyl-1,2,4-triazole Formula: C22H31N3 MolecularWeight: 337.50164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3/c1-3-4-8-11-21-12-15-22(16-13-21,17-14-21)20-24-23-19(25(20)2)18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3