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

Systemtic Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(piperidin-1-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(1-piperidylmethyl)quinoline-4-carboxamide CAS Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(1-piperidinylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(piperidin-1-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(piperidinomethyl)cinchoninamide Formula: C31H33N3O MolecularWeight: 463.61322

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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)CN5CCCCC5

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C31H33N3O/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34-20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)/t27-/m0/s1