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

Systemtic Name: 4-[[(3-bromophenyl)-diphenoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3-bromophenyl)-diphenoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3-bromophenyl)-diphenoxyphosphorylmethyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3-bromophenyl)-diphenoxyphosphorylmethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(3-bromophenyl)-diphenoxyphosphoryl-methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C30H27BrN3O4P MolecularWeight: 604.430841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C3=CC(=CC=C3)Br)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C3=CC(=CC=C3)Br)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H27BrN3O4P/c1-22-28(30(35)34(33(22)2)25-15-6-3-7-16-25)32-29(23-13-12-14-24(31)21-23)39(36,37-26-17-8-4-9-18-26)38-27-19-10-5-11-20-27/h3-21,29,32H,1-2H3