2-(2-azanylpropyl)-4-phenyl-isoquinolin-1-one; (E)-but-2-enedioic acid

Systemtic Name: 2-(2-azanylpropyl)-4-phenyl-isoquinolin-1-one; (E)-but-2-enedioic acid Openeye Name: 2-(2-aminopropyl)-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: 2-(2-aminopropyl)-4-phenyl-1-isoquinolinone; (E)-2-butenedioic acid IUPAC Name: 2-(2-aminopropyl)-4-phenylisoquinolin-1-one; (E)-but-2-enedioic acid Traditional Name: 2-(2-aminopropyl)-4-phenyl-isocarbostyril; fumaric acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H18N2O.C4H4O4/c1-13(19)11-20-12-17(14-7-3-2-4-8-14)15-9-5-6-10-16(15)18(20)21;5-3(6)1-2-4(7)8/h2-10,12-13H,11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+