3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-4,5,6,7-tetrakis(fluoranyl)-2-methyl-3H-isoindol-1-one hydrochloride

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-4,5,6,7-tetrakis(fluoranyl)-2-methyl-3H-isoindol-1-one hydrochloride Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-4,5,6,7-tetrafluoro-2-methyl-isoindolin-1-one hydrochloride CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-4,5,6,7-tetrafluoro-2-methyl-3H-isoindol-1-one hydrochloride IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-4,5,6,7-tetrafluoro-2-methyl-3H-isoindol-1-one hydrochloride Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-4,5,6,7-tetrafluoro-2-methyl-isoindolin-1-one hydrochloride Formula: C27H29Cl3F4N4O2 MolecularWeight: 623.897373

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C1=O)C(=C(C(=C2F)F)F)F)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl.Cl

Isomeric SMILES

CN1C(C2=C(C1=O)C(=C(C(=C2F)F)F)F)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl.Cl

InChI

InChI=1S/C27H28Cl2F4N4O2.ClH/c1-35-25(19-20(26(35)38)22(31)24(33)23(32)21(19)30)16(14-3-4-17(28)18(29)13-14)7-12-36-10-5-15(6-11-36)37-9-2-8-34-27(37)39;/h3-4,13,15-16,25H,2,5-12H2,1H3,(H,34,39);1H