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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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