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

Systemtic Name: 3,3-dimethyl-1-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-(3-isopropoxy-5-phenyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 3,3-dimethyl-1-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-(3-isopropoxy-5-phenyl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-1-one Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC=CC=C2)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC=CC=C2)C(=O)CC(C)(C)C

InChI

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