(E)-but-2-enedioic acid; 2-[2-(dimethylamino)propyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(dimethylamino)propyl]-4-phenyl-isoquinolin-1-one Openeye Name: 2-[2-(dimethylamino)propyl]-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(dimethylamino)propyl]-4-phenyl-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(dimethylamino)propyl]-4-phenylisoquinolin-1-one Traditional Name: 2-[2-(dimethylamino)propyl]-4-phenyl-isocarbostyril; fumaric acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H22N2O.C4H4O4/c1-15(21(2)3)13-22-14-19(16-9-5-4-6-10-16)17-11-7-8-12-18(17)20(22)23;5-3(6)1-2-4(7)8/h4-12,14-15H,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+