3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2,6-dimethyl-3H-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2,6-dimethyl-3H-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-2,6-dimethyl-isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-2,6-dimethyl-3H-isoindol-1-one IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2,6-dimethyl-3H-isoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-2,6-dimethyl-isoindolin-1-one Formula: C28H34Cl2N4O2 MolecularWeight: 529.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(N(C2=O)C)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(N(C2=O)C)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H34Cl2N4O2/c1-18-4-6-22-23(16-18)27(35)32(2)26(22)21(19-5-7-24(29)25(30)17-19)10-15-33-13-8-20(9-14-33)34-12-3-11-31-28(34)36/h4-7,16-17,20-21,26H,3,8-15H2,1-2H3,(H,31,36)