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

Systemtic Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]methanone Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-2-3-9-26-20-22-18(13-5-4-6-15(21)10-13)24(23-20)19(25)14-7-8-16-17(11-14)28-12-27-16/h4-8,10-11H,2-3,9,12H2,1H3