3-[5-bromanyl-2-[(phenylmethyl)amino]phenyl]-1-(phenylmethyl)quinoxalin-2-one

Systemtic Name: 3-[5-bromanyl-2-[(phenylmethyl)amino]phenyl]-1-(phenylmethyl)quinoxalin-2-one Openeye Name: 1-benzyl-3-[2-(benzylamino)-5-bromo-phenyl]quinoxalin-2-one CAS Name: 3-[5-bromo-2-[(phenylmethyl)amino]phenyl]-1-(phenylmethyl)-2-quinoxalinone IUPAC Name: 1-benzyl-3-[2-(benzylamino)-5-bromophenyl]quinoxalin-2-one Traditional Name: 1-benzyl-3-[2-(benzylamino)-5-bromo-phenyl]quinoxalin-2-one Formula: C28H22BrN3O MolecularWeight: 496.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H22BrN3O/c29-22-15-16-24(30-18-20-9-3-1-4-10-20)23(17-22)27-28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-25(26)31-27/h1-17,30H,18-19H2