(E)-but-2-enedioic acid; 7-fluoranyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-3-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 7-fluoranyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-3-carboxamide Openeye Name: 7-fluoro-N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-3-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-fluoro-N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-indolecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 7-fluoro-N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-3-carboxamide Traditional Name: 7-fluoro-N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-3-carboxamide; fumaric acid Formula: C20H21FN4O5 MolecularWeight: 416.402943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CN(C)C(=O)C2=CN(C3=C2C=CC=C3F)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CN(C)C(=O)C2=CN(C3=C2C=CC=C3F)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17FN4O.C4H4O4/c1-10-14(19-9-18-10)8-21(3)16(22)12-7-20(2)15-11(12)5-4-6-13(15)17;5-3(6)1-2-4(7)8/h4-7,9H,8H2,1-3H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+