(E)-N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide

Systemtic Name: (E)-N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide Openeye Name: (E)-N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide CAS Name: (E)-N-[2-[1-[(4-bromophenyl)methyl]-2-benzimidazolyl]ethyl]-2-butenamide IUPAC Name: (E)-N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide Traditional Name: (E)-N-[2-[1-(4-bromobenzyl)benzimidazol-2-yl]ethyl]but-2-enamide Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Br

Isomeric SMILES

C/C=C/C(=O)NCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O/c1-2-5-20(25)22-13-12-19-23-17-6-3-4-7-18(17)24(19)14-15-8-10-16(21)11-9-15/h2-11H,12-14H2,1H3,(H,22,25)/b5-2+