(E)-but-2-enedioic acid; N-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-methyl-piperazine-1-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-methyl-piperazine-1-carboxamide; fumaric acid Formula: C25H30N4O5 MolecularWeight: 466.5295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=CC=CC=C2N3CCCC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=CC=CC=C2N3CCCC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N4O.C4H4O4/c1-23-13-15-24(16-14-23)21(26)22-18-9-3-5-11-20(18)25-12-6-8-17-7-2-4-10-19(17)25;5-3(6)1-2-4(7)8/h2-5,7,9-11H,6,8,12-16H2,1H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1+