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

Systemtic Name: (E)-but-2-enedioic acid; 4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one Openeye Name: fumaric acid; 4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-[2-(1-pyrrolidinyl)ethyl]-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one Traditional Name: fumaric acid; 4-phenyl-2-(2-pyrrolidinoethyl)isocarbostyril Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22N2O.C4H4O4/c24-21-19-11-5-4-10-18(19)20(17-8-2-1-3-9-17)16-23(21)15-14-22-12-6-7-13-22;5-3(6)1-2-4(7)8/h1-5,8-11,16H,6-7,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+