(E)-but-2-enedioic acid; 1H-indazol-3-yl-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]methanone

Systemtic Name: (E)-but-2-enedioic acid; 1H-indazol-3-yl-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]methanone Openeye Name: fumaric acid; 1H-indazol-3-yl-[4-(5-methyl-1H-imidazol-4-yl)-1-piperidyl]methanone CAS Name: (E)-2-butenedioic acid; 1H-indazol-3-yl-[4-(5-methyl-1H-imidazol-4-yl)-1-piperidinyl]methanone IUPAC Name: (E)-but-2-enedioic acid; 1H-indazol-3-yl-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]methanone Traditional Name: fumaric acid; 1H-indazol-3-yl-[4-(5-methyl-1H-imidazol-4-yl)piperidino]methanone Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)C2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N5O.C4H4O4/c1-11-15(19-10-18-11)12-6-8-22(9-7-12)17(23)16-13-4-2-3-5-14(13)20-21-16;5-3(6)1-2-4(7)8/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+