(E,2R)-2-(benzotriazol-1-yl)-8-phenyl-oct-7-en-5-yn-4-one

Systemtic Name: (E,2R)-2-(benzotriazol-1-yl)-8-phenyl-oct-7-en-5-yn-4-one Openeye Name: (E,2R)-2-(benzotriazol-1-yl)-8-phenyl-oct-7-en-5-yn-4-one CAS Name: (E,2R)-2-(1-benzotriazolyl)-8-phenyl-4-oct-7-en-5-ynone IUPAC Name: (E,2R)-2-(benzotriazol-1-yl)-8-phenyloct-7-en-5-yn-4-one Traditional Name: (E,2R)-2-(benzotriazol-1-yl)-8-phenyl-oct-7-en-5-yn-4-one Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C#CC=CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@H](CC(=O)C#C/C=C/C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H17N3O/c1-16(23-20-14-8-7-13-19(20)21-22-23)15-18(24)12-6-5-11-17-9-3-2-4-10-17/h2-5,7-11,13-14,16H,15H2,1H3/b11-5+/t16-/m1/s1