3-(5-bromanyl-2-phenylmethoxy-phenyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinoxalin-2-one

Systemtic Name: 3-(5-bromanyl-2-phenylmethoxy-phenyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinoxalin-2-one Openeye Name: 3-(2-benzyloxy-5-bromo-phenyl)-1-[5-[(2S,6R)-2,6-dimethyl-1-piperidyl]pentyl]quinoxalin-2-one CAS Name: 3-(5-bromo-2-phenylmethoxyphenyl)-1-[5-[(2S,6R)-2,6-dimethyl-1-piperidinyl]pentyl]-2-quinoxalinone IUPAC Name: 3-(5-bromo-2-phenylmethoxyphenyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinoxalin-2-one Traditional Name: 3-(2-benzoxy-5-bromo-phenyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidino]pentyl]quinoxalin-2-one Formula: C33H38BrN3O2 MolecularWeight: 588.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C

InChI

InChI=1S/C33H38BrN3O2/c1-24-12-11-13-25(2)36(24)20-9-4-10-21-37-30-17-8-7-16-29(30)35-32(33(37)38)28-22-27(34)18-19-31(28)39-23-26-14-5-3-6-15-26/h3,5-8,14-19,22,24-25H,4,9-13,20-21,23H2,1-2H3/t24-,25+