[1-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-3-oxidanylidene-1H-isoindol-5-yl] ethanoate hydrochloride

Systemtic Name: [1-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-3-oxidanylidene-1H-isoindol-5-yl] ethanoate hydrochloride Openeye Name: [1-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-2-methyl-3-oxo-isoindolin-5-yl] acetate hydrochloride CAS Name: acetic acid [1-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-2-methyl-3-oxo-1H-isoindol-5-yl] ester hydrochloride IUPAC Name: [1-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-3-oxo-1H-isoindol-5-yl] acetate hydrochloride Traditional Name: acetic acid [1-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-3-keto-2-methyl-isoindolin-5-yl] ester hydrochloride Formula: C29H35Cl3N4O4 MolecularWeight: 609.9716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(N(C2=O)C)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl.Cl

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(N(C2=O)C)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl.Cl

InChI

InChI=1S/C29H34Cl2N4O4.ClH/c1-18(36)39-21-5-6-23-24(17-21)28(37)33(2)27(23)22(19-4-7-25(30)26(31)16-19)10-15-34-13-8-20(9-14-34)35-12-3-11-32-29(35)38;/h4-7,16-17,20,22,27H,3,8-15H2,1-2H3,(H,32,38);1H