3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-7-(trifluoromethyl)-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]-2-methyl-7-(trifluoromethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-2-methyl-7-(trifluoromethyl)isoindolin-1-one hydrochloride CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-2-methyl-7-(trifluoromethyl)-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]-2-methyl-7-(trifluoromethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-2-methyl-7-(trifluoromethyl)isoindolin-1-one hydrochloride Formula: C28H32Cl3F3N4O2 MolecularWeight: 619.93349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31Cl2F3N4O2.ClH/c1-35-25(20-4-2-5-21(28(31,32)33)24(20)26(35)38)19(17-6-7-22(29)23(30)16-17)10-15-36-13-8-18(9-14-36)37-12-3-11-34-27(37)39;/h2,4-7,16,18-19,25H,3,8-15H2,1H3,(H,34,39);1H