(E)-but-2-enedioic acid; 7-chloranyl-N-indol-1-yl-N-propyl-quinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 7-chloranyl-N-indol-1-yl-N-propyl-quinolin-4-amine Openeye Name: 7-chloro-N-indol-1-yl-N-propyl-quinolin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-chloro-N-(1-indolyl)-N-propyl-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; 7-chloro-N-indol-1-yl-N-propylquinolin-4-amine Traditional Name: (7-chloro-4-quinolyl)-indol-1-yl-propyl-amine; fumaric acid Formula: C24H22ClN3O4 MolecularWeight: 451.90218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H18ClN3.C4H4O4/c1-2-12-23(24-13-10-15-5-3-4-6-19(15)24)20-9-11-22-18-14-16(21)7-8-17(18)20;5-3(6)1-2-4(7)8/h3-11,13-14H,2,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+