(3R)-4-(3-bromophenyl)carbonyl-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one

Systemtic Name: (3R)-4-(3-bromophenyl)carbonyl-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Openeye Name: (3R)-4-(3-bromobenzoyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one CAS Name: (3R)-4-[(3-bromophenyl)-oxomethyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-piperazinone IUPAC Name: (3R)-4-(3-bromobenzoyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one Traditional Name: (3R)-4-(3-bromobenzoyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Formula: C22H21BrN4O2 MolecularWeight: 453.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCCN3C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrN4O2/c1-14-19(15(2)27(25-14)18-9-4-3-5-10-18)20-21(28)24-11-12-26(20)22(29)16-7-6-8-17(23)13-16/h3-10,13,20H,11-12H2,1-2H3,(H,24,28)/t20-/m1/s1