2-azanyl-N-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-N-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide; (E)-but-2-enedioic acid Openeye Name: 2-amino-N-[1-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide; fumaric acid CAS Name: 2-amino-N-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide; (E)-2-butenedioic acid IUPAC Name: 2-amino-N-[1-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide; (E)-but-2-enedioic acid Traditional Name: 2-amino-N-[1-(1-keto-4-phenyl-2-isoquinolyl)propyl]acetamide; fumaric acid Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)CN)N1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(NC(=O)CN)N1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H21N3O2.C4H4O4/c1-2-18(22-19(24)12-21)23-13-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(23)25;5-3(6)1-2-4(7)8/h3-11,13,18H,2,12,21H2,1H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+