2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanal

Systemtic Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanal Openeye Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanal CAS Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanal IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanal Traditional Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanal Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClN3O/c1-2-3-8-15(10-20,9-19-12-17-11-18-19)13-4-6-14(16)7-5-13/h4-7,10-12H,2-3,8-9H2,1H3