2-[4-(2-methylpropyl)phenyl]-N-phenethyl-quinoline-4-carboxamide

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-N-phenethyl-quinoline-4-carboxamide Openeye Name: 2-(4-isobutylphenyl)-N-phenethyl-quinoline-4-carboxamide CAS Name: 2-[4-(2-methylpropyl)phenyl]-N-phenethyl-4-quinolinecarboxamide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]-N-phenethylquinoline-4-carboxamide Traditional Name: 2-(4-isobutylphenyl)-N-phenethyl-cinchoninamide Formula: C28H28N2O MolecularWeight: 408.53472

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O/c1-20(2)18-22-12-14-23(15-13-22)27-19-25(24-10-6-7-11-26(24)30-27)28(31)29-17-16-21-8-4-3-5-9-21/h3-15,19-20H,16-18H2,1-2H3,(H,29,31)