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

Systemtic Name: (E)-but-2-enedioic acid; 4-phenyl-2-[2-[(phenylmethyl)amino]propyl]isoquinolin-1-one Openeye Name: 2-[2-(benzylamino)propyl]-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-[2-[(phenylmethyl)amino]propyl]-1-isoquinolinone IUPAC Name: 2-[2-(benzylamino)propyl]-4-phenylisoquinolin-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[2-(benzylamino)propyl]-4-phenyl-isocarbostyril; fumaric acid Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H24N2O.C4H4O4/c1-19(26-16-20-10-4-2-5-11-20)17-27-18-24(21-12-6-3-7-13-21)22-14-8-9-15-23(22)25(27)28;5-3(6)1-2-4(7)8/h2-15,18-19,26H,16-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+