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

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)aniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-[2-(1H-pyrazol-4-yl)phenyl]amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CNC2=CC=CC=C2C3=CNN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)CNC2=CC=CC=C2C3=CNN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N5.C4H4O4/c1-2-4-12(16-9-13-14-5-6-15-13)11(3-1)10-7-17-18-8-10;5-3(6)1-2-4(7)8/h1-4,7-8,16H,5-6,9H2,(H,14,15)(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+