3-octan-3-yl-2-oxidanylidene-1-propyl-quinoline-4-carboxamide

Systemtic Name: 3-octan-3-yl-2-oxidanylidene-1-propyl-quinoline-4-carboxamide Openeye Name: 3-(1-ethylhexyl)-2-oxo-1-propyl-quinoline-4-carboxamide CAS Name: 3-octan-3-yl-2-oxo-1-propyl-4-quinolinecarboxamide IUPAC Name: 3-octan-3-yl-2-oxo-1-propylquinoline-4-carboxamide Traditional Name: 3-(1-ethylhexyl)-2-keto-1-propyl-cinchoninamide Formula: C21H30N2O2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C2=CC=CC=C2N(C1=O)CCC)C(=O)N

Isomeric SMILES

CCCCCC(CC)C1=C(C2=CC=CC=C2N(C1=O)CCC)C(=O)N

InChI

InChI=1S/C21H30N2O2/c1-4-7-8-11-15(6-3)18-19(20(22)24)16-12-9-10-13-17(16)23(14-5-2)21(18)25/h9-10,12-13,15H,4-8,11,14H2,1-3H3,(H2,22,24)