(E)-but-2-enedioic acid; 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one Openeye Name: fumaric acid; 4-phenyl-2-[3-(1-piperidyl)propyl]isoquinolin-1-one CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-[3-(1-piperidinyl)propyl]-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one Traditional Name: fumaric acid; 4-phenyl-2-(3-piperidinopropyl)isocarbostyril Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26N2O.C4H4O4/c26-23-21-13-6-5-12-20(21)22(19-10-3-1-4-11-19)18-25(23)17-9-16-24-14-7-2-8-15-24;5-3(6)1-2-4(7)8/h1,3-6,10-13,18H,2,7-9,14-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+