2-(4-chlorophenyl)-N-[3-(dodecanoylamino)phenyl]-8-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[3-(dodecanoylamino)phenyl]-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[3-(dodecanoylamino)phenyl]-8-methyl-quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-8-methyl-N-[3-(1-oxododecylamino)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[3-(dodecanoylamino)phenyl]-8-methylquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[3-(lauroylamino)phenyl]-8-methyl-cinchoninamide Formula: C35H40ClN3O2 MolecularWeight: 570.164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C35H40ClN3O2/c1-3-4-5-6-7-8-9-10-11-18-33(40)37-28-15-13-16-29(23-28)38-35(41)31-24-32(26-19-21-27(36)22-20-26)39-34-25(2)14-12-17-30(31)34/h12-17,19-24H,3-11,18H2,1-2H3,(H,37,40)(H,38,41)