N-[(2S)-octan-2-yl]-2-(4-phenylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2S)-octan-2-yl]-2-(4-phenylphenyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-methylheptyl]-2-(4-phenylphenyl)quinoline-4-carboxamide CAS Name: N-[(2S)-octan-2-yl]-2-(4-phenylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2S)-octan-2-yl]-2-(4-phenylphenyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-methylheptyl]-2-(4-phenylphenyl)cinchoninamide Formula: C30H32N2O MolecularWeight: 436.58788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O/c1-3-4-5-7-12-22(2)31-30(33)27-21-29(32-28-16-11-10-15-26(27)28)25-19-17-24(18-20-25)23-13-8-6-9-14-23/h6,8-11,13-22H,3-5,7,12H2,1-2H3,(H,31,33)/t22-/m0/s1