3-(cyanomethyl)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-(cyanomethyl)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-(cyanomethyl)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-(cyanomethyl)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-(cyanomethyl)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-(cyanomethyl)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenyl-cinchoninamide Formula: C28H22FN3O MolecularWeight: 435.492183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC(=CC=C2)F)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)CC#N

Isomeric SMILES

C1CC1[C@@H](C2=CC(=CC=C2)F)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)CC#N

InChI

InChI=1S/C28H22FN3O/c29-21-10-6-9-20(17-21)26(19-13-14-19)32-28(33)25-22-11-4-5-12-24(22)31-27(23(25)15-16-30)18-7-2-1-3-8-18/h1-12,17,19,26H,13-15H2,(H,32,33)/t26-/m0/s1