(E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine Openeye Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(2-pyridyl)piperazin-1-yl]butan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine Traditional Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(2-pyridyl)piperazino]butyl]amine; fumaric acid Formula: C26H35N5O4 MolecularWeight: 481.5872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(CCN3CCN(CC3)C4=CC=CC=N4)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(CCN3CCN(CC3)C4=CC=CC=N4)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H31N5.C4H4O4/c23-18-20(27-12-5-7-19-6-1-2-8-21(19)27)10-13-25-14-16-26(17-15-25)22-9-3-4-11-24-22;5-3(6)1-2-4(7)8/h1-4,6,8-9,11,20H,5,7,10,12-18,23H2;1-2H,(H,5,6)(H,7,8)/b;2-1+