3-[(2S)-2-(benzotriazol-1-yl)-3,3-diphenyl-oxiran-2-yl]pentan-3-ol

Systemtic Name: 3-[(2S)-2-(benzotriazol-1-yl)-3,3-diphenyl-oxiran-2-yl]pentan-3-ol Openeye Name: 3-[(2S)-2-(benzotriazol-1-yl)-3,3-diphenyl-oxiran-2-yl]pentan-3-ol CAS Name: 3-[(2S)-2-(1-benzotriazolyl)-3,3-diphenyl-2-oxiranyl]-3-pentanol IUPAC Name: 3-[(2S)-2-(benzotriazol-1-yl)-3,3-diphenyloxiran-2-yl]pentan-3-ol Traditional Name: 3-[(2S)-2-(benzotriazol-1-yl)-3,3-diphenyl-oxiran-2-yl]pentan-3-ol Formula: C25H25N3O2 MolecularWeight: 399.4849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4)O

Isomeric SMILES

CCC(CC)([C@]1(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4)O

InChI

InChI=1S/C25H25N3O2/c1-3-23(29,4-2)25(28-22-18-12-11-17-21(22)26-27-28)24(30-25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18,29H,3-4H2,1-2H3/t25-/m0/s1