1,3-benzodioxol-5-yl-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-3-4-11-27-21-22-19(14-5-8-16(26-2)9-6-14)24(23-21)20(25)15-7-10-17-18(12-15)29-13-28-17/h5-10,12H,3-4,11,13H2,1-2H3