(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethylpyrazol-3-yl)aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethylpyrazol-3-yl)aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethylpyrazol-3-yl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-3-pyrazolyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethylpyrazol-3-yl)aniline Traditional Name: [2-(2-ethylpyrazol-3-yl)phenyl]-(2-imidazolin-2-ylmethyl)amine; fumaric acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C2=CC=CC=C2NCC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)C2=CC=CC=C2NCC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H19N5.C4H4O4/c1-2-20-14(7-8-19-20)12-5-3-4-6-13(12)18-11-15-16-9-10-17-15;5-3(6)1-2-4(7)8/h3-8,18H,2,9-11H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+