(E)-but-2-enedioic acid; 2-[3-(diethylamino)propyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(diethylamino)propyl]-4-phenyl-isoquinolin-1-one Openeye Name: 2-[3-(diethylamino)propyl]-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[3-(diethylamino)propyl]-4-phenyl-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(diethylamino)propyl]-4-phenylisoquinolin-1-one Traditional Name: 2-[3-(diethylamino)propyl]-4-phenyl-isocarbostyril; fumaric acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26N2O.C4H4O4/c1-3-23(4-2)15-10-16-24-17-21(18-11-6-5-7-12-18)19-13-8-9-14-20(19)22(24)25;5-3(6)1-2-4(7)8/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+