3-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]carbonylpiperidin-4-yl]benzenecarboximidamide

Systemtic Name: 3-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]carbonylpiperidin-4-yl]benzenecarboximidamide Openeye Name: 3-[1-[4-[2-(3-fluorophenyl)ethynyl]benzoyl]-4-piperidyl]benzamidine CAS Name: 3-[1-[[4-[2-(3-fluorophenyl)ethynyl]phenyl]-oxomethyl]-4-piperidinyl]benzenecarboximidamide IUPAC Name: 3-[1-[4-[2-(3-fluorophenyl)ethynyl]benzoyl]piperidin-4-yl]benzenecarboximidamide Traditional Name: 3-[1-[4-[2-(3-fluorophenyl)ethynyl]benzoyl]-4-piperidyl]benzamidine Formula: C27H24FN3O MolecularWeight: 425.497363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC(=C2)C(=N)N)C(=O)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCC1C2=CC=CC(=C2)C(=N)N)C(=O)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H24FN3O/c28-25-6-1-3-20(17-25)8-7-19-9-11-22(12-10-19)27(32)31-15-13-21(14-16-31)23-4-2-5-24(18-23)26(29)30/h1-6,9-12,17-18,21H,13-16H2,(H3,29,30)