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

Systemtic Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine Openeye Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine Traditional Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-pyrimidyl)piperazino]propyl]amine; fumaric acid Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(CN)CN3CCN(CC3)C4=NC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(CN)CN3CCN(CC3)C4=NC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H28N6.C4H4O4/c21-15-18(26-10-3-6-17-5-1-2-7-19(17)26)16-24-11-13-25(14-12-24)20-22-8-4-9-23-20;5-3(6)1-2-4(7)8/h1-2,4-5,7-9,18H,3,6,10-16,21H2;1-2H,(H,5,6)(H,7,8)/b;2-1+