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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-6-25-19-21-18(14-7-8-15-16(10-14)27-12-26-15)23(22-19)17(24)9-13(2)11-20(3,4)5/h7-8,10,13H,6,9,11-12H2,1-5H3