3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-7-propan-2-yloxy-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-propan-2-yloxy-3H-isoindol-1-one hydrochloride Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-7-isopropoxy-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]-2-methyl-7-propan-2-yloxy-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-propan-2-yloxy-3H-isoindol-1-one hydrochloride Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-7-isopropoxy-2-methyl-isoindolin-1-one hydrochloride Formula: C30H39Cl3N4O3 MolecularWeight: 610.01466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC2=C1C(=O)N(C2C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl)C.Cl

Isomeric SMILES

CC(C)OC1=CC=CC2=C1C(=O)N(C2C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl)C.Cl

InChI

InChI=1S/C30H38Cl2N4O3.ClH/c1-19(2)39-26-7-4-6-23-27(26)29(37)34(3)28(23)22(20-8-9-24(31)25(32)18-20)12-17-35-15-10-21(11-16-35)36-14-5-13-33-30(36)38;/h4,6-9,18-19,21-22,28H,5,10-17H2,1-3H3,(H,33,38);1H