3-(bromomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-(bromomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-(bromomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-(bromomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-(bromomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-(bromomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C25H27BrN2O MolecularWeight: 451.39868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CBr

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CBr

InChI

InChI=1S/C25H27BrN2O/c1-17(18-10-4-2-5-11-18)27-25(29)23-20-14-8-9-15-22(20)28-24(21(23)16-26)19-12-6-3-7-13-19/h3,6-9,12-15,17-18H,2,4-5,10-11,16H2,1H3,(H,27,29)/t17-/m0/s1