4-[[(2R,3R)-3-methyl-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde

Systemtic Name: 4-[[(2R,3R)-3-methyl-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde Openeye Name: 4-[[(2R,3R)-2-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde CAS Name: 4-[[(2R,3R)-2-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde IUPAC Name: 4-[[(2R,3R)-2-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde Traditional Name: 4-[[(2R,3R)-2-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC=C(C=C2)C=O)C1(CN3C=NC=N3)O

Isomeric SMILES

C[C@@H]1CCCC(=CC2=CC=C(C=C2)C=O)[C@]1(CN3C=NC=N3)O

InChI

InChI=1S/C18H21N3O2/c1-14-3-2-4-17(9-15-5-7-16(10-22)8-6-15)18(14,23)11-21-13-19-12-20-21/h5-10,12-14,23H,2-4,11H2,1H3/t14-,18-/m1/s1