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

Systemtic Name: 1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C(=O)CC(C)CC(C)(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C(=O)CC(C)CC(C)(C)C)OC

InChI

InChI=1S/C19H27N3O2/c1-13-7-9-15(10-8-13)17-20-18(24-6)21-22(17)16(23)11-14(2)12-19(3,4)5/h7-10,14H,11-12H2,1-6H3