N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-isobutylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]quinoline-4-carboxamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(4-isobutylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]cinchoninamide Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C

InChI

InChI=1S/C27H32N2O/c1-18(2)16-20-12-14-21(15-13-20)26-17-23(22-9-5-7-11-25(22)28-26)27(30)29-24-10-6-4-8-19(24)3/h5,7,9,11-15,17-19,24H,4,6,8,10,16H2,1-3H3,(H,29,30)/t19-,24-/m0/s1