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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=NN(C=C2Br)C)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(CCN1C(=O)C2=NN(C=C2Br)C)CC(=O)C3=CC=C(C=C3)F

InChI

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