2-(2,4-dimethylphenyl)-N-dodecyl-quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-dodecyl-quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-dodecyl-quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-dodecyl-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-dodecylquinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-lauryl-cinchoninamide Formula: C30H40N2O MolecularWeight: 444.6514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C30H40N2O/c1-4-5-6-7-8-9-10-11-12-15-20-31-30(33)27-22-29(25-19-18-23(2)21-24(25)3)32-28-17-14-13-16-26(27)28/h13-14,16-19,21-22H,4-12,15,20H2,1-3H3,(H,31,33)