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

Systemtic Name: 4-[1,3-benzodioxol-5-yl-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one Openeye Name: 4-[1,3-benzodioxol-5-yl-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-isoxazol-5-one CAS Name: 4-[1,3-benzodioxol-5-yl-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-isoxazol-5-one IUPAC Name: 4-[1,3-benzodioxol-5-yl-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one Traditional Name: 4-[1,3-benzodioxol-5-yl-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-3-methyl-3-isoxazolin-5-one Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=C(NOC5=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=C(NOC5=O)C

InChI

InChI=1S/C22H19N3O5/c1-12-18(21(26)25(23-12)15-6-4-3-5-7-15)20(19-13(2)24-30-22(19)27)14-8-9-16-17(10-14)29-11-28-16/h3-10,20,23-24H,11H2,1-2H3