(2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(2-pyrimidylamino)propan-1-one Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)NC5=NC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]([C@H](C3=CC=CC=C3)C(=O)C4=CC=CC=C4)NC5=NC=CC=N5

InChI

InChI=1S/C26H21N3O3/c30-25(19-10-5-2-6-11-19)23(18-8-3-1-4-9-18)24(29-26-27-14-7-15-28-26)20-12-13-21-22(16-20)32-17-31-21/h1-16,23-24H,17H2,(H,27,28,29)/t23-,24-/m0/s1