2-[[1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperidin-4-yl]methyl]-1-oxidanylidene-3H-isoindole-5-carbonitrile

Systemtic Name: 2-[[1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperidin-4-yl]methyl]-1-oxidanylidene-3H-isoindole-5-carbonitrile Openeye Name: 2-[[1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-4-piperidyl]methyl]-1-oxo-isoindoline-5-carbonitrile CAS Name: 2-[[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-piperidinyl]methyl]-1-oxo-3H-isoindole-5-carbonitrile IUPAC Name: 2-[[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]-1-oxo-3H-isoindole-5-carbonitrile Traditional Name: 2-[[1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-4-piperidyl]methyl]-1-keto-isoindoline-5-carbonitrile Formula: C23H24FN3O2 MolecularWeight: 393.453963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=C(C2=O)C=CC(=C3)C#N)CC(C4=CC=C(C=C4)F)O

Isomeric SMILES

C1CN(CCC1CN2CC3=C(C2=O)C=CC(=C3)C#N)CC(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C23H24FN3O2/c24-20-4-2-18(3-5-20)22(28)15-26-9-7-16(8-10-26)13-27-14-19-11-17(12-25)1-6-21(19)23(27)29/h1-6,11,16,22,28H,7-10,13-15H2