4-[(3-bromophenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one

Systemtic Name: 4-[(3-bromophenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one Openeye Name: 4-[(3-bromophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-isoxazol-5-one CAS Name: 4-[(3-bromophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-isoxazol-5-one IUPAC Name: 4-[(3-bromophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one Traditional Name: 4-[(3-bromophenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-3-methyl-3-isoxazolin-5-one Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)Br)C4=C(NOC4=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)Br)C4=C(NOC4=O)C

InChI

InChI=1S/C21H18BrN3O3/c1-12-17(20(26)25(23-12)16-9-4-3-5-10-16)19(14-7-6-8-15(22)11-14)18-13(2)24-28-21(18)27/h3-11,19,23-24H,1-2H3