3-[1-(3,4-dichlorophenyl)-3-(4-pyridin-3-ylpiperidin-1-yl)propyl]-6-methoxy-2-methyl-3H-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-(4-pyridin-3-ylpiperidin-1-yl)propyl]-6-methoxy-2-methyl-3H-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(3-pyridyl)-1-piperidyl]propyl]-6-methoxy-2-methyl-isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(3-pyridinyl)-1-piperidinyl]propyl]-6-methoxy-2-methyl-3H-isoindol-1-one IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-(4-pyridin-3-ylpiperidin-1-yl)propyl]-6-methoxy-2-methyl-3H-isoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(3-pyridyl)piperidino]propyl]-6-methoxy-2-methyl-isoindolin-1-one Formula: C29H31Cl2N3O2 MolecularWeight: 524.48134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C1=O)C=C(C=C2)OC)C(CCN3CCC(CC3)C4=CN=CC=C4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C(C2=C(C1=O)C=C(C=C2)OC)C(CCN3CCC(CC3)C4=CN=CC=C4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H31Cl2N3O2/c1-33-28(24-7-6-22(36-2)17-25(24)29(33)35)23(20-5-8-26(30)27(31)16-20)11-15-34-13-9-19(10-14-34)21-4-3-12-32-18-21/h3-8,12,16-19,23,28H,9-11,13-15H2,1-2H3