2-bromanyl-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one

Systemtic Name: 2-bromanyl-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-bromo-5,6-dimethoxy-indan-1-one CAS Name: 2-bromo-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-inden-1-one IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-2-bromo-5,6-dimethoxy-3H-inden-1-one Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-bromo-5,6-dimethoxy-indan-1-one Formula: C24H28BrNO3 MolecularWeight: 458.38802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)Br)OC

InChI

InChI=1S/C24H28BrNO3/c1-28-21-12-19-15-24(25,23(27)20(19)13-22(21)29-2)14-17-8-10-26(11-9-17)16-18-6-4-3-5-7-18/h3-7,12-13,17H,8-11,14-16H2,1-2H3