4-[[(S)-(3-bromophenyl)-diethoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(S)-(3-bromophenyl)-diethoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(S)-(3-bromophenyl)-diethoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(S)-(3-bromophenyl)-diethoxyphosphorylmethyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(S)-(3-bromophenyl)-diethoxyphosphorylmethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(S)-(3-bromophenyl)-diethoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H27BrN3O4P MolecularWeight: 508.345241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=CC=C1)Br)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCC

Isomeric SMILES

CCOP(=O)([C@@H](C1=CC(=CC=C1)Br)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCC

InChI

InChI=1S/C22H27BrN3O4P/c1-5-29-31(28,30-6-2)21(17-11-10-12-18(23)15-17)24-20-16(3)25(4)26(22(20)27)19-13-8-7-9-14-19/h7-15,21,24H,5-6H2,1-4H3/t21-/m0/s1