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

Systemtic Name: 2-[2-[bis(prop-2-enyl)amino]propyl]-4-phenyl-isoquinolin-1-one; (E)-but-2-enedioic acid Openeye Name: 2-[2-(diallylamino)propyl]-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: 2-[2-[bis(prop-2-enyl)amino]propyl]-4-phenyl-1-isoquinolinone; (E)-2-butenedioic acid IUPAC Name: 2-[2-[bis(prop-2-enyl)amino]propyl]-4-phenylisoquinolin-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[2-(diallylamino)propyl]-4-phenyl-isocarbostyril; fumaric acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O.C4H4O4/c1-4-15-25(16-5-2)19(3)17-26-18-23(20-11-7-6-8-12-20)21-13-9-10-14-22(21)24(26)27;5-3(6)1-2-4(7)8/h4-14,18-19H,1-2,15-17H2,3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+