N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-(diisobutylamino)propyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-(diisobutylamino)propyl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C29H39N3O MolecularWeight: 445.63946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O/c1-20(2)18-32(19-21(3)4)15-9-14-30-29(33)26-17-28(24-13-12-22(5)23(6)16-24)31-27-11-8-7-10-25(26)27/h7-8,10-13,16-17,20-21H,9,14-15,18-19H2,1-6H3,(H,30,33)