(2S,3R)-3-(3-nitrophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: (2S,3R)-3-(3-nitrophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: (2S,3R)-3-(3-nitrophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: (2S,3R)-3-(3-nitrophenyl)-1,2-diphenyl-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: (2S,3R)-3-(3-nitrophenyl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: (2S,3R)-3-(3-nitrophenyl)-1,2-diphenyl-3-(2-pyrimidylamino)propan-1-one Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC(=CC=C2)[N+](=O)[O-])NC3=NC=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@H](C2=CC(=CC=C2)[N+](=O)[O-])NC3=NC=CC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O3/c30-24(19-11-5-2-6-12-19)22(18-9-3-1-4-10-18)23(28-25-26-15-8-16-27-25)20-13-7-14-21(17-20)29(31)32/h1-17,22-23H,(H,26,27,28)/t22-,23-/m0/s1