2-[4-(2-methylpropyl)phenyl]-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(4-isobutylphenyl)-N-(3-morpholinopropyl)quinoline-4-carboxamide CAS Name: 2-[4-(2-methylpropyl)phenyl]-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(4-isobutylphenyl)-N-(3-morpholinopropyl)cinchoninamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C27H33N3O2/c1-20(2)18-21-8-10-22(11-9-21)26-19-24(23-6-3-4-7-25(23)29-26)27(31)28-12-5-13-30-14-16-32-17-15-30/h3-4,6-11,19-20H,5,12-18H2,1-2H3,(H,28,31)