(2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone

Systemtic Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone Openeye Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone CAS Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone IUPAC Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone Traditional Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone Formula: C26H26BrN3O MolecularWeight: 476.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC5=CC=CC=C5NC4=CC(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC\4=NC5=CC=CC=C5N/C4=C/C(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C26H26BrN3O/c27-20-7-5-19(6-8-20)24(31)12-23-25(29-22-4-2-1-3-21(22)28-23)30-26-13-16-9-17(14-26)11-18(10-16)15-26/h1-8,12,16-18,28H,9-11,13-15H2,(H,29,30)/b23-12+