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

Systemtic Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine Openeye Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine Traditional Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyrimidyl)piperazino]ethyl]amine; fumaric acid Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(CN)N3CCN(CC3)C4=NC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(CN)N3CCN(CC3)C4=NC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H26N6.C4H4O4/c20-15-18(25-10-3-6-16-5-1-2-7-17(16)25)23-11-13-24(14-12-23)19-21-8-4-9-22-19;5-3(6)1-2-4(7)8/h1-2,4-5,7-9,18H,3,6,10-15,20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+