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

Systemtic Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine Openeye Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridyl)piperazin-1-yl]ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridinyl)-1-piperazinyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine Traditional Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridyl)piperazino]ethyl]amine; fumaric acid Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5.C4H4O4/c21-16-20(25-11-5-7-17-6-1-2-8-18(17)25)24-14-12-23(13-15-24)19-9-3-4-10-22-19;5-3(6)1-2-4(7)8/h1-4,6,8-10,20H,5,7,11-16,21H2;1-2H,(H,5,6)(H,7,8)/b;2-1+