2-[(2S)-4-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonyl-2-methyl-piperazin-1-yl]-1-(4-fluorophenyl)ethanone

Systemtic Name: 2-[(2S)-4-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonyl-2-methyl-piperazin-1-yl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[(2S)-4-(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)-2-methyl-piperazin-1-yl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[(2S)-4-[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]-2-methyl-1-piperazinyl]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[(2S)-4-(4-bromo-1,5-dimethylpyrazole-3-carbonyl)-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[(2S)-4-(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)-2-methyl-piperazino]-1-(4-fluorophenyl)ethanone Formula: C19H22BrFN4O2 MolecularWeight: 437.305983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)C2=CC=C(C=C2)F)C(=O)C3=NN(C(=C3Br)C)C

Isomeric SMILES

C[C@H]1CN(CCN1CC(=O)C2=CC=C(C=C2)F)C(=O)C3=NN(C(=C3Br)C)C

InChI

InChI=1S/C19H22BrFN4O2/c1-12-10-25(19(27)18-17(20)13(2)23(3)22-18)9-8-24(12)11-16(26)14-4-6-15(21)7-5-14/h4-7,12H,8-11H2,1-3H3/t12-/m0/s1