3-[[4-[(2-fluoranyl-5,6-dimethoxy-3-oxidanylidene-1H-inden-2-yl)methyl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(2-fluoranyl-5,6-dimethoxy-3-oxidanylidene-1H-inden-2-yl)methyl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(2-fluoro-5,6-dimethoxy-1-oxo-indan-2-yl)methyl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[(2-fluoro-5,6-dimethoxy-3-oxo-1H-inden-2-yl)methyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(2-fluoro-5,6-dimethoxy-3-oxo-1H-inden-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(2-fluoro-1-keto-5,6-dimethoxy-indan-2-yl)methyl]piperidino]methyl]benzonitrile Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC(=C4)C#N)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC(=C4)C#N)F)OC

InChI

InChI=1S/C25H27FN2O3/c1-30-22-11-20-14-25(26,24(29)21(20)12-23(22)31-2)13-17-6-8-28(9-7-17)16-19-5-3-4-18(10-19)15-27/h3-5,10-12,17H,6-9,13-14,16H2,1-2H3