(E)-but-2-enedioic acid; 7-chloranyl-4-morpholin-4-ylcarbonyl-2-(3-morpholin-4-ylpropyl)isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 7-chloranyl-4-morpholin-4-ylcarbonyl-2-(3-morpholin-4-ylpropyl)isoquinolin-1-one Openeye Name: 7-chloro-4-(morpholine-4-carbonyl)-2-(3-morpholinopropyl)isoquinolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-chloro-4-[4-morpholinyl(oxo)methyl]-2-[3-(4-morpholinyl)propyl]-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 7-chloro-4-(morpholine-4-carbonyl)-2-(3-morpholin-4-ylpropyl)isoquinolin-1-one Traditional Name: 7-chloro-4-(morpholine-4-carbonyl)-2-(3-morpholinopropyl)isocarbostyril; fumaric acid Formula: C25H30ClN3O8 MolecularWeight: 535.974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C=C(C3=C(C2=O)C=C(C=C3)Cl)C(=O)N4CCOCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCCN2C=C(C3=C(C2=O)C=C(C=C3)Cl)C(=O)N4CCOCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26ClN3O4.C4H4O4/c22-16-2-3-17-18(14-16)20(26)25(5-1-4-23-6-10-28-11-7-23)15-19(17)21(27)24-8-12-29-13-9-24;5-3(6)1-2-4(7)8/h2-3,14-15H,1,4-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+