5-bromanyl-3-(2,2-dimethyl-3-phenyl-propoxy)-4-[methyl(pyridin-3-yl)amino]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-3-(2,2-dimethyl-3-phenyl-propoxy)-4-[methyl(pyridin-3-yl)amino]-1H-pyridazin-6-one Openeye Name: 5-bromo-3-(2,2-dimethyl-3-phenyl-propoxy)-4-[methyl(3-pyridyl)amino]-1H-pyridazin-6-one CAS Name: 5-bromo-3-(2,2-dimethyl-3-phenylpropoxy)-4-[methyl(3-pyridinyl)amino]-1H-pyridazin-6-one IUPAC Name: 5-bromo-3-(2,2-dimethyl-3-phenylpropoxy)-4-[methyl(pyridin-3-yl)amino]-1H-pyridazin-6-one Traditional Name: 5-bromo-3-(2,2-dimethyl-3-phenyl-propoxy)-4-[methyl(3-pyridyl)amino]-1H-pyridazin-6-one Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)COC2=NNC(=O)C(=C2N(C)C3=CN=CC=C3)Br

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)COC2=NNC(=O)C(=C2N(C)C3=CN=CC=C3)Br

InChI

InChI=1S/C21H23BrN4O2/c1-21(2,12-15-8-5-4-6-9-15)14-28-20-18(17(22)19(27)24-25-20)26(3)16-10-7-11-23-13-16/h4-11,13H,12,14H2,1-3H3,(H,24,27)