4-[[(R)-1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(R)-1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(R)-1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(R)-1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(R)-1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(R)-1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H28N3O6P MolecularWeight: 473.458681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OCC

Isomeric SMILES

CCOP(=O)([C@H](C1=CC2=C(C=C1)OCO2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OCC

InChI

InChI=1S/C23H28N3O6P/c1-5-31-33(28,32-6-2)22(17-12-13-19-20(14-17)30-15-29-19)24-21-16(3)25(4)26(23(21)27)18-10-8-7-9-11-18/h7-14,22,24H,5-6,15H2,1-4H3/t22-/m1/s1