(E)-but-2-enedioic acid; N2,N2-diethyl-2-methyl-N1-(6-phenyl-5-propyl-pyridazin-3-yl)propane-1,2-diamine

Systemtic Name: (E)-but-2-enedioic acid; N2,N2-diethyl-2-methyl-N1-(6-phenyl-5-propyl-pyridazin-3-yl)propane-1,2-diamine Openeye Name: N2,N2-diethyl-2-methyl-N1-(6-phenyl-5-propyl-pyridazin-3-yl)propane-1,2-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N2,N2-diethyl-2-methyl-N1-(6-phenyl-5-propyl-3-pyridazinyl)propane-1,2-diamine IUPAC Name: (E)-but-2-enedioic acid; 2-N,2-N-diethyl-2-methyl-1-N-(6-phenyl-5-propylpyridazin-3-yl)propane-1,2-diamine Traditional Name: [1,1-dimethyl-2-[(6-phenyl-5-propyl-pyridazin-3-yl)amino]ethyl]-diethyl-amine; fumaric acid Formula: C54H76N8O12 MolecularWeight: 1029.22764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(C)(C)N(CC)CC.CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(C)(C)N(CC)CC.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(N(CC)CC)(C)C.CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(N(CC)CC)(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C21H32N4.3C4H4O4/c2*1-6-12-18-15-19(22-16-21(4,5)25(7-2)8-3)23-24-20(18)17-13-10-9-11-14-17;3*5-3(6)1-2-4(7)8/h2*9-11,13-15H,6-8,12,16H2,1-5H3,(H,22,23);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+