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

Systemtic Name: 3,3-dimethyl-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]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3,3-dimethyl-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]-3,3-dimethyl-butan-1-one Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-12(2)23-17-19-16(14-9-7-13(3)8-10-14)21(20-17)15(22)11-18(4,5)6/h7-10,12H,11H2,1-6H3