1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)CCC4CCCC4

Isomeric SMILES

CC(C)COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)CCC4CCCC4

InChI

InChI=1S/C21H27N3O4/c1-14(2)12-26-21-22-20(16-8-9-17-18(11-16)28-13-27-17)24(23-21)19(25)10-7-15-5-3-4-6-15/h8-9,11,14-15H,3-7,10,12-13H2,1-2H3