1-[(3R)-3-ethoxy-1-phenyl-hepta-1,5-diyn-3-yl]benzotriazole

Systemtic Name: 1-[(3R)-3-ethoxy-1-phenyl-hepta-1,5-diyn-3-yl]benzotriazole Openeye Name: 1-[(1R)-1-ethoxy-1-(2-phenylethynyl)pent-3-ynyl]benzotriazole CAS Name: 1-[(3R)-3-ethoxy-1-phenylhepta-1,5-diyn-3-yl]benzotriazole IUPAC Name: 1-[(3R)-3-ethoxy-1-phenylhepta-1,5-diyn-3-yl]benzotriazole Traditional Name: 1-[(1R)-1-ethoxy-1-(2-phenylethynyl)pent-3-ynyl]benzotriazole Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO[C@](CC#CC)(C#CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H19N3O/c1-3-5-16-21(25-4-2,17-15-18-11-7-6-8-12-18)24-20-14-10-9-13-19(20)22-23-24/h6-14H,4,16H2,1-2H3/t21-/m1/s1