2-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-1-(2-methoxyphenyl)ethanone

Systemtic Name: 2-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-1-(2-methoxyphenyl)ethanone Openeye Name: 2-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone CAS Name: 2-[4-[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-1-(2-methoxyphenyl)ethanone IUPAC Name: 2-[4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone Traditional Name: 2-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazino]-1-(2-methoxyphenyl)ethanone Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)C3=CC=CC=C3OC)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)C3=CC=CC=C3OC)Br

InChI

InChI=1S/C18H21BrN4O3/c1-21-11-14(19)17(20-21)18(25)23-9-7-22(8-10-23)12-15(24)13-5-3-4-6-16(13)26-2/h3-6,11H,7-10,12H2,1-2H3