2-(1,3-benzodioxol-5-yloxymethyl)-6-(1-methylpiperidin-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-6-(1-methylpiperidin-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-6-(1-methyl-4-piperidyl)-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-6-(1-methyl-4-piperidinyl)-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-6-(1-methylpiperidin-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-6-(1-methyl-4-piperidyl)-1H-pyrimidin-4-one Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CC(=O)N=C(N2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCC(CC1)C2=CC(=O)N=C(N2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O4/c1-21-6-4-12(5-7-21)14-9-18(22)20-17(19-14)10-23-13-2-3-15-16(8-13)25-11-24-15/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,19,20,22)