1-(4-bromanyl-2-methyl-phenyl)-2-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-2-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione Openeye Name: 1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-bromo-2-methyl-phenyl)ethane-1,2-dione CAS Name: 1-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-2-(4-bromo-2-methylphenyl)ethane-1,2-dione IUPAC Name: 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-bromo-2-methylphenyl)ethane-1,2-dione Traditional Name: 1-[(2R)-4-benzoyl-2-methyl-piperazino]-2-(4-bromo-2-methyl-phenyl)ethane-1,2-dione Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=C(C=C(C=C2)Br)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C(=O)C2=C(C=C(C=C2)Br)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O3/c1-14-12-17(22)8-9-18(14)19(25)21(27)24-11-10-23(13-15(24)2)20(26)16-6-4-3-5-7-16/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1