2-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-6,7-dimethoxy-phthalazin-1-one

Systemtic Name: 2-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-6,7-dimethoxy-phthalazin-1-one Openeye Name: 2-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-6,7-dimethoxy-phthalazin-1-one CAS Name: 2-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]propyl]-6,7-dimethoxy-1-phthalazinone IUPAC Name: 2-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-6,7-dimethoxyphthalazin-1-one Traditional Name: 2-[3-[4-(4-fluorobenzoyl)piperidino]propyl]-6,7-dimethoxy-phthalazin-1-one Formula: C25H28FN3O4 MolecularWeight: 453.505923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NN(C2=O)CCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NN(C2=O)CCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H28FN3O4/c1-32-22-14-19-16-27-29(25(31)21(19)15-23(22)33-2)11-3-10-28-12-8-18(9-13-28)24(30)17-4-6-20(26)7-5-17/h4-7,14-16,18H,3,8-13H2,1-2H3