4-bromanyl-N-[3-(2-phenylimidazol-1-yl)propyl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-bromanyl-N-[3-(2-phenylimidazol-1-yl)propyl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-bromo-N-[3-(2-phenylimidazol-1-yl)propyl]benzamide; fumaric acid CAS Name: 4-bromo-N-[3-(2-phenyl-1-imidazolyl)propyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-bromo-N-[3-(2-phenylimidazol-1-yl)propyl]benzamide; (E)-but-2-enedioic acid Traditional Name: 4-bromo-N-[3-(2-phenylimidazol-1-yl)propyl]benzamide; fumaric acid Formula: C23H22BrN3O5 MolecularWeight: 500.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2CCCNC(=O)C3=CC=C(C=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2CCCNC(=O)C3=CC=C(C=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H18BrN3O.C4H4O4/c20-17-9-7-16(8-10-17)19(24)22-11-4-13-23-14-12-21-18(23)15-5-2-1-3-6-15;5-3(6)1-2-4(7)8/h1-3,5-10,12,14H,4,11,13H2,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+