2-[[1-[4-bromanyl-2-(phenylcarbonyl)phenyl]-4-ethyl-imidazol-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-[4-bromanyl-2-(phenylcarbonyl)phenyl]-4-ethyl-imidazol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2-benzoyl-4-bromo-phenyl)-4-ethyl-imidazol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(2-benzoyl-4-bromophenyl)-4-ethyl-2-imidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-benzoyl-4-bromophenyl)-4-ethylimidazol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(2-benzoyl-4-bromo-phenyl)-4-ethyl-imidazol-2-yl]methyl]isoindoline-1,3-quinone Formula: C27H20BrN3O3 MolecularWeight: 514.37

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=N1)CN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Br)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CN(C(=N1)CN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Br)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20BrN3O3/c1-2-19-15-30(23-13-12-18(28)14-22(23)25(32)17-8-4-3-5-9-17)24(29-19)16-31-26(33)20-10-6-7-11-21(20)27(31)34/h3-15H,2,16H2,1H3