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

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-isopropylpyrazol-3-yl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-3-pyrazolyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-[2-(2-isopropylpyrazol-3-yl)phenyl]amine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)C2=CC=CC=C2NCC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C(=CC=N1)C2=CC=CC=C2NCC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21N5.C4H4O4/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16;5-3(6)1-2-4(7)8/h3-8,12,19H,9-11H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+