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

Systemtic Name: 3,5,5-trimethyl-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 3,5,5-trimethyl-1-[3-propoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 3,5,5-trimethyl-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[5-(4-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 3,5,5-trimethyl-1-[3-propoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C21H31N3O2/c1-7-12-26-20-22-19(17-10-8-15(2)9-11-17)24(23-20)18(25)13-16(3)14-21(4,5)6/h8-11,16H,7,12-14H2,1-6H3