(E,2R)-2-(benzotriazol-1-yl)-1,4-diphenyl-but-3-en-1-one

Systemtic Name: (E,2R)-2-(benzotriazol-1-yl)-1,4-diphenyl-but-3-en-1-one Openeye Name: (E,2R)-2-(benzotriazol-1-yl)-1,4-diphenyl-but-3-en-1-one CAS Name: (E,2R)-2-(1-benzotriazolyl)-1,4-diphenyl-3-buten-1-one IUPAC Name: (E,2R)-2-(benzotriazol-1-yl)-1,4-diphenylbut-3-en-1-one Traditional Name: (E,2R)-2-(benzotriazol-1-yl)-1,4-diphenyl-but-3-en-1-one Formula: C22H17N3O MolecularWeight: 339.38988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/[C@H](C(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H17N3O/c26-22(18-11-5-2-6-12-18)21(16-15-17-9-3-1-4-10-17)25-20-14-8-7-13-19(20)23-24-25/h1-16,21H/b16-15+/t21-/m1/s1