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

Systemtic Name: 3-(cyanomethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 3-(cyanomethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 3-(cyanomethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 3-(cyanomethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 3-(cyanomethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C27H23N3O MolecularWeight: 405.49102

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O/c1-2-23(19-11-5-3-6-12-19)30-27(31)25-21-15-9-10-16-24(21)29-26(22(25)17-18-28)20-13-7-4-8-14-20/h3-16,23H,2,17H2,1H3,(H,30,31)/t23-/m0/s1