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

Systemtic Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3-methoxyphenyl)piperazino]methanone Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

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