1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-14(2)27-20-22-19(16-9-8-10-17(12-16)26-7)24(23-20)18(25)11-15(3)13-21(4,5)6/h8-10,12,14-15H,11,13H2,1-7H3