1-(4-bromophenyl)-N-dimorpholin-4-ylphosphoryl-2,5-dimethyl-pyrrole-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-dimorpholin-4-ylphosphoryl-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: 1-(4-bromophenyl)-N-dimorpholinophosphoryl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[bis(4-morpholinyl)phosphoryl]-1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-dimorpholin-4-ylphosphoryl-2,5-dimethylpyrrole-3-carboxamide Traditional Name: 1-(4-bromophenyl)-N-dimorpholinophosphoryl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C21H28BrN4O4P MolecularWeight: 511.349181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)NP(=O)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)NP(=O)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H28BrN4O4P/c1-16-15-20(17(2)26(16)19-5-3-18(22)4-6-19)21(27)23-31(28,24-7-11-29-12-8-24)25-9-13-30-14-10-25/h3-6,15H,7-14H2,1-2H3,(H,23,27,28)