1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]dodecan-1-one

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]dodecan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]dodecan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-1-dodecanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]dodecan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]dodecan-1-one Formula: C24H35N3O5 MolecularWeight: 445.5518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H35N3O5/c1-3-4-5-6-7-8-9-10-11-12-22(28)27-23(25-24(26-27)30-16-15-29-2)19-13-14-20-21(17-19)32-18-31-20/h13-14,17H,3-12,15-16,18H2,1-2H3