[4-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazino]-(2-methoxyphenyl)methanone Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O3/c1-30-20-5-3-2-4-17(20)21(28)26-10-12-27(13-11-26)22(29)19-14-18(24-25-19)15-6-8-16(23)9-7-15/h2-9,14H,10-13H2,1H3,(H,24,25)