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

Systemtic Name: 6-chloranyl-3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-3H-isoindol-1-one hydrochloride Openeye Name: 6-chloro-3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-2-methyl-isoindolin-1-one hydrochloride CAS Name: 6-chloro-3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-2-methyl-3H-isoindol-1-one hydrochloride IUPAC Name: 6-chloro-3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-3H-isoindol-1-one hydrochloride Traditional Name: 6-chloro-3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-2-methyl-isoindolin-1-one hydrochloride Formula: C27H32Cl4N4O2 MolecularWeight: 586.38058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31Cl3N4O2.ClH/c1-32-25(21-5-4-18(28)16-22(21)26(32)35)20(17-3-6-23(29)24(30)15-17)9-14-33-12-7-19(8-13-33)34-11-2-10-31-27(34)36;/h3-6,15-16,19-20,25H,2,7-14H2,1H3,(H,31,36);1H