2-[3-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propyl]-3-oxidanyl-3H-isoindol-1-one

Systemtic Name: 2-[3-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propyl]-3-oxidanyl-3H-isoindol-1-one Openeye Name: 2-[3-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]propyl]-3-hydroxy-isoindolin-1-one CAS Name: 2-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]propyl]-3-hydroxy-3H-isoindol-1-one IUPAC Name: 2-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one Traditional Name: 2-[3-[4-(2-bromo-5-methoxy-benzyl)piperidino]propyl]-3-hydroxy-isoindolin-1-one Formula: C24H29BrN2O3 MolecularWeight: 473.40266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCN3C(C4=CC=CC=C4C3=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCN3C(C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C24H29BrN2O3/c1-30-19-7-8-22(25)18(16-19)15-17-9-13-26(14-10-17)11-4-12-27-23(28)20-5-2-3-6-21(20)24(27)29/h2-3,5-8,16-17,23,28H,4,9-15H2,1H3