1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]pentan-1-one

Systemtic Name: 1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[3-propoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[3-propoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]pentan-1-one Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H23N3O2/c1-4-6-7-15(21)20-16(14-10-8-13(3)9-11-14)18-17(19-20)22-12-5-2/h8-11H,4-7,12H2,1-3H3