(3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazino]methanone Formula: C20H21BrN6O MolecularWeight: 441.32434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C20H21BrN6O/c1-14-12-15(2)27(24-14)19-7-6-18(22-23-19)25-8-10-26(11-9-25)20(28)16-4-3-5-17(21)13-16/h3-7,12-13H,8-11H2,1-2H3