(E)-but-2-enedioic acid; N'-butyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)ethanehydrazide

Systemtic Name: (E)-but-2-enedioic acid; N'-butyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)ethanehydrazide Openeye Name: N'-butyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetohydrazide; fumaric acid CAS Name: (E)-2-butenedioic acid; N'-butyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetohydrazide IUPAC Name: (E)-but-2-enedioic acid; N'-butyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetohydrazide Traditional Name: N'-butyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetohydrazide; fumaric acid Formula: C26H33N3O5 MolecularWeight: 467.55732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNN(C1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)C(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNN(C1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)C(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29N3O.C4H4O4/c1-4-5-14-23-25(17(2)26)22-13-9-12-19-20(15-24(3)16-21(19)22)18-10-7-6-8-11-18;5-3(6)1-2-4(7)8/h6-13,20,23H,4-5,14-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+