(3-bromophenyl)-(3,5-dimethyl-5-oxidanyl-4-prop-2-enyl-4H-pyrazol-1-yl)methanone

Systemtic Name: (3-bromophenyl)-(3,5-dimethyl-5-oxidanyl-4-prop-2-enyl-4H-pyrazol-1-yl)methanone Openeye Name: (4-allyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(3-bromophenyl)methanone CAS Name: (3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4-prop-2-enyl-4H-pyrazol-1-yl)methanone IUPAC Name: (3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4-prop-2-enyl-4H-pyrazol-1-yl)methanone Traditional Name: (4-allyl-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-(3-bromophenyl)methanone Formula: C15H17BrN2O2 MolecularWeight: 337.21168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1CC=C)(C)O)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=NN(C(C1CC=C)(C)O)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H17BrN2O2/c1-4-6-13-10(2)17-18(15(13,3)20)14(19)11-7-5-8-12(16)9-11/h4-5,7-9,13,20H,1,6H2,2-3H3