2-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)ethyl]cinchoninamide Formula: C25H19ClN2O3 MolecularWeight: 430.88296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H19ClN2O3/c26-18-5-3-4-16(12-18)10-11-27-25(29)20-14-22(28-21-7-2-1-6-19(20)21)17-8-9-23-24(13-17)31-15-30-23/h1-9,12-14H,10-11,15H2,(H,27,29)