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

Systemtic Name: 2-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-1-(2-naphthyl)ethanone CAS Name: 2-[4-[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-naphthalen-2-ylethanone Traditional Name: 2-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazino]-1-(2-naphthyl)ethanone Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)C3=CC4=CC=CC=C4C=C3)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)C3=CC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c1-24-13-18(22)20(23-24)21(28)26-10-8-25(9-11-26)14-19(27)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12-13H,8-11,14H2,1H3