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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole CAS Name: 3-(2-chloro-4-methoxyphenyl)-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-5-(2-chloro-4-methoxy-phenyl)-4-methyl-1,2,4-triazole Formula: C23H32ClN3O MolecularWeight: 401.97268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=C(C=C(C=C4)OC)Cl

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=C(C=C(C=C4)OC)Cl

InChI

InChI=1S/C23H32ClN3O/c1-4-5-6-9-22-10-13-23(14-11-22,15-12-22)21-26-25-20(27(21)2)18-8-7-17(28-3)16-19(18)24/h7-8,16H,4-6,9-15H2,1-3H3