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

Systemtic Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(pyridin-2-ylamino)propan-1-one Openeye Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(2-pyridylamino)propan-1-one CAS Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(2-pyridinylamino)-1-propanone IUPAC Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(pyridin-2-ylamino)propan-1-one Traditional Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-1,2-diphenyl-3-(2-pyridylamino)propan-1-one Formula: C27H22N2O3 MolecularWeight: 422.47518

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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=CC=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=CC=CC=N5

InChI

InChI=1S/C27H22N2O3/c30-27(20-11-5-2-6-12-20)25(19-9-3-1-4-10-19)26(29-24-13-7-8-16-28-24)21-14-15-22-23(17-21)32-18-31-22/h1-17,25-26H,18H2,(H,28,29)/t25-,26-/m0/s1