3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-2-ethyl-isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-2-ethyl-3H-isoindol-1-one IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-2-ethyl-isoindolin-1-one Formula: C28H34Cl2N4O2 MolecularWeight: 529.50116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=CC=CC=C2C1=O)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCN1C(C2=CC=CC=C2C1=O)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H34Cl2N4O2/c1-2-33-26(22-6-3-4-7-23(22)27(33)35)21(19-8-9-24(29)25(30)18-19)12-17-32-15-10-20(11-16-32)34-14-5-13-31-28(34)36/h3-4,6-9,18,20-21,26H,2,5,10-17H2,1H3,(H,31,36)