3-cyano-N-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluoranyl-phenyl]methyl]benzamide

Systemtic Name: 3-cyano-N-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluoranyl-phenyl]methyl]benzamide Openeye Name: 3-cyano-N-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluoro-phenyl]methyl]benzamide CAS Name: 3-cyano-N-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluorophenyl]methyl]benzamide IUPAC Name: 3-cyano-N-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluorophenyl]methyl]benzamide Traditional Name: 3-cyano-N-[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluoro-benzyl]benzamide Formula: C27H25FN4O MolecularWeight: 440.512003

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CNC1CN2CC3=CC=CC(=C3)C4=C(C=CC(=C4)CNC(=O)C5=CC=CC(=C5)C#N)F

Isomeric SMILES

C1[C@H]2CN[C@@H]1CN2CC3=CC=CC(=C3)C4=C(C=CC(=C4)CNC(=O)C5=CC=CC(=C5)C#N)F

InChI

InChI=1S/C27H25FN4O/c28-26-8-7-19(14-31-27(33)22-6-1-3-18(9-22)13-29)11-25(26)21-5-2-4-20(10-21)16-32-17-23-12-24(32)15-30-23/h1-11,23-24,30H,12,14-17H2,(H,31,33)/t23-,24-/m0/s1