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

Systemtic Name: 3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 3,5,5-trimethyl-1-[5-(o-tolyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 3,5,5-trimethyl-1-[5-(o-tolyl)-3-propoxy-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=CC=C2C)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CC(C)CC(C)(C)C

InChI

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