2-(1-azabicyclo[3.2.2]nonan-3-yl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-azabicyclo[3.2.2]nonan-3-yl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 2-(1-azabicyclo[3.2.2]nonan-3-yl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 2-(1-azabicyclo[3.2.2]nonan-3-yl)-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-azabicyclo[3.2.2]nonan-3-yl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 2-(1-azabicyclo[3.2.2]nonan-3-yl)-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4CC5CCN(C4)CC5

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4CC5CCN(C4)CC5

InChI

InChI=1S/C27H31N3O/c1-2-24(20-8-4-3-5-9-20)29-27(31)23-17-26(28-25-11-7-6-10-22(23)25)21-16-19-12-14-30(18-21)15-13-19/h3-11,17,19,21,24H,2,12-16,18H2,1H3,(H,29,31)/t21?,24-/m0/s1