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

Systemtic Name: 2-[(2S)-4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonyl-2-methyl-piperazin-1-yl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[(2S)-4-(4-bromo-1-methyl-pyrazole-3-carbonyl)-2-methyl-piperazin-1-yl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[(2S)-4-[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]-2-methyl-1-piperazinyl]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[(2S)-4-(4-bromo-1-methylpyrazole-3-carbonyl)-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[(2S)-4-(4-bromo-1-methyl-pyrazole-3-carbonyl)-2-methyl-piperazino]-1-(4-fluorophenyl)ethanone Formula: C18H20BrFN4O2 MolecularWeight: 423.279403

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrFN4O2/c1-12-9-24(18(26)17-15(19)10-22(2)21-17)8-7-23(12)11-16(25)13-3-5-14(20)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3/t12-/m0/s1