3,3-dimethyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[6-(o-tolyl)pyridazin-3-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-(2-methylphenyl)-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[6-(o-tolyl)pyridazin-3-yl]piperazino]butan-1-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H28N4O/c1-16-7-5-6-8-17(16)18-9-10-19(23-22-18)24-11-13-25(14-12-24)20(26)15-21(2,3)4/h5-10H,11-15H2,1-4H3