1-azido-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-one

Systemtic Name: 1-azido-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-one Openeye Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoyl azide CAS Name: 1-azido-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1-hexanone IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoyl azide Traditional Name: 1-azido-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-one Formula: C15H17ClN6O MolecularWeight: 332.78808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)C(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C15H17ClN6O/c1-2-3-8-15(14(23)20-21-17,9-22-11-18-10-19-22)12-4-6-13(16)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3