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

Systemtic Name: 2-[4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazol-3-yl]benzaldehyde Openeye Name: 2-[4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazol-3-yl]benzaldehyde CAS Name: 2-[4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazol-3-yl]benzaldehyde IUPAC Name: 2-[4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazol-3-yl]benzaldehyde Traditional Name: 2-[5-(1-amyl-4-bicyclo[2.2.2]octanyl)-4-methyl-1,2,4-triazol-3-yl]benzaldehyde Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C=O

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C=O

InChI

InChI=1S/C23H31N3O/c1-3-4-7-10-22-11-14-23(15-12-22,16-13-22)21-25-24-20(26(21)2)19-9-6-5-8-18(19)17-27/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3