3-(cyanomethyl)-2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Systemtic Name: 3-(cyanomethyl)-2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 3-(cyanomethyl)-2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 3-(cyanomethyl)-2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 3-(cyanomethyl)-2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 3-(cyanomethyl)-2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C27H22FN3O MolecularWeight: 423.481483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)F)CC#N

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)F)CC#N

InChI

InChI=1S/C27H22FN3O/c1-2-23(18-9-4-3-5-10-18)31-27(32)25-21-13-6-7-14-24(21)30-26(22(25)15-16-29)19-11-8-12-20(28)17-19/h3-14,17,23H,2,15H2,1H3,(H,31,32)/t23-/m0/s1