3-methyl-1-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-11(2)10-15(21)20-16(14-8-6-13(5)7-9-14)18-17(19-20)22-12(3)4/h6-9,11-12H,10H2,1-5H3