3-[1-[3-(dimethylaminomethyl)-2-fluoranyl-4-phenyl-phenyl]-2-oxidanylidene-piperidin-3-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[1-[3-(dimethylaminomethyl)-2-fluoranyl-4-phenyl-phenyl]-2-oxidanylidene-piperidin-3-yl]oxybenzenecarbonitrile Openeye Name: 3-[[1-[3-(dimethylaminomethyl)-2-fluoro-4-phenyl-phenyl]-2-oxo-3-piperidyl]oxy]benzonitrile CAS Name: 3-[[1-[3-(dimethylaminomethyl)-2-fluoro-4-phenylphenyl]-2-oxo-3-piperidinyl]oxy]benzonitrile IUPAC Name: 3-[1-[3-(dimethylaminomethyl)-2-fluoro-4-phenylphenyl]-2-oxopiperidin-3-yl]oxybenzonitrile Traditional Name: 3-[[1-[3-(dimethylaminomethyl)-2-fluoro-4-phenyl-phenyl]-2-keto-3-piperidyl]oxy]benzonitrile Formula: C27H26FN3O2 MolecularWeight: 443.512643

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1F)N2CCCC(C2=O)OC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1F)N2CCCC(C2=O)OC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O2/c1-30(2)18-23-22(20-9-4-3-5-10-20)13-14-24(26(23)28)31-15-7-12-25(27(31)32)33-21-11-6-8-19(16-21)17-29/h3-6,8-11,13-14,16,25H,7,12,15,18H2,1-2H3