2-bromanyl-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide; 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyridazin-4-one

Systemtic Name: 2-bromanyl-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide; 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyridazin-4-one Openeye Name: 2-bromo-3,3-dimethyl-N-(1-methyl-1-phenyl-ethyl)butanamide; 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyridazin-4-one CAS Name: 2-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide; 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1H-pyridazin-4-one IUPAC Name: 2-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide; 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1H-pyridazin-4-one Traditional Name: 2-bromo-N-cumyl-3,3-dimethyl-butyramide; 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-1H-pyridazin-4-one Formula: C29H35BrClN3O3 MolecularWeight: 588.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NNC(=CC2=O)Cl)C3CC3.CC(C)(C)C(C(=O)NC(C)(C)C1=CC=CC=C1)Br

Isomeric SMILES

CC1=CC=CC(=C1OC2=NNC(=CC2=O)Cl)C3CC3.CC(C)(C)C(C(=O)NC(C)(C)C1=CC=CC=C1)Br

InChI

InChI=1S/C15H22BrNO.C14H13ClN2O2/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11;1-8-3-2-4-10(9-5-6-9)13(8)19-14-11(18)7-12(15)16-17-14/h6-10,12H,1-5H3,(H,17,18);2-4,7,9H,5-6H2,1H3,(H,16,18)