N-heptan-2-yl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-heptan-2-yl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-3-methyl-N-(1-methylhexyl)quinoline-4-carboxamide CAS Name: N-heptan-2-yl-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-heptan-2-yl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-3-methyl-N-(1-methylhexyl)cinchoninamide Formula: C25H30N2O2 MolecularWeight: 390.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H30N2O2/c1-5-6-7-10-17(2)26-25(28)23-18(3)24(19-13-15-20(29-4)16-14-19)27-22-12-9-8-11-21(22)23/h8-9,11-17H,5-7,10H2,1-4H3,(H,26,28)