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

Systemtic Name: 2-[3-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]propyl]-3H-isoindol-1-one Openeye Name: 2-[3-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]propyl]isoindolin-1-one CAS Name: 2-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]propyl]-3H-isoindol-1-one IUPAC Name: 2-[3-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]propyl]-3H-isoindol-1-one Traditional Name: 2-[3-[4-(2-bromo-5-methoxy-benzyl)piperidino]propyl]isoindolin-1-one Formula: C24H29BrN2O2 MolecularWeight: 457.40326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H29BrN2O2/c1-29-21-7-8-23(25)20(16-21)15-18-9-13-26(14-10-18)11-4-12-27-17-19-5-2-3-6-22(19)24(27)28/h2-3,5-8,16,18H,4,9-15,17H2,1H3