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

Systemtic Name: 2-fluoranyl-5,6-dimethoxy-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-inden-1-one Openeye Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-2-fluoro-5,6-dimethoxy-indan-1-one CAS Name: 2-fluoro-5,6-dimethoxy-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-3H-inden-1-one IUPAC Name: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2-fluoro-5,6-dimethoxy-3H-inden-1-one Traditional Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-2-fluoro-5,6-dimethoxy-indan-1-one Formula: C25H30FNO3 MolecularWeight: 411.509003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)(CCC3CCN(CC3)CC4=CC=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)(CCC3CCN(CC3)CC4=CC=CC=C4)F)OC

InChI

InChI=1S/C25H30FNO3/c1-29-22-14-20-16-25(26,24(28)21(20)15-23(22)30-2)11-8-18-9-12-27(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-15,18H,8-13,16-17H2,1-2H3