[3-[1-(4-cyanophenyl)-2,2,2-triphenyl-ethyl]-1,2-dihydroimidazol-4-yl]methyl ethanoate bromide

Systemtic Name: [3-[1-(4-cyanophenyl)-2,2,2-triphenyl-ethyl]-1,2-dihydroimidazol-4-yl]methyl ethanoate bromide Openeye Name: [3-[1-(4-cyanophenyl)-2,2,2-triphenyl-ethyl]-1,2-dihydroimidazol-4-yl]methyl acetate bromide CAS Name: acetic acid [3-[1-(4-cyanophenyl)-2,2,2-triphenylethyl]-1,2-dihydroimidazol-4-yl]methyl ester bromide IUPAC Name: [3-[1-(4-cyanophenyl)-2,2,2-triphenylethyl]-1,2-dihydroimidazol-4-yl]methyl acetate bromide Traditional Name: acetic acid [3-[1-(4-cyanophenyl)-2,2,2-triphenyl-ethyl]-4-imidazolin-4-yl]methyl ester bromide Formula: C33H29BrN3O2- MolecularWeight: 579.50626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CNCN1C(C2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(=O)OCC1=CNCN1C(C2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H29N3O2.BrH/c1-25(37)38-23-31-22-35-24-36(31)32(27-19-17-26(21-34)18-20-27)33(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;/h2-20,22,32,35H,23-24H2,1H3;1H/p-1