1-(7-bromanyl-3-ethoxy-1-phenyl-hept-1-yn-3-yl)benzotriazole

Systemtic Name: 1-(7-bromanyl-3-ethoxy-1-phenyl-hept-1-yn-3-yl)benzotriazole Openeye Name: 1-[5-bromo-1-ethoxy-1-(2-phenylethynyl)pentyl]benzotriazole CAS Name: 1-(7-bromo-3-ethoxy-1-phenylhept-1-yn-3-yl)benzotriazole IUPAC Name: 1-(7-bromo-3-ethoxy-1-phenylhept-1-yn-3-yl)benzotriazole Traditional Name: 1-[1-(4-bromobutyl)-1-ethoxy-3-phenyl-prop-2-ynyl]benzotriazole Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O/c1-2-26-21(15-8-9-17-22,16-14-18-10-4-3-5-11-18)25-20-13-7-6-12-19(20)23-24-25/h3-7,10-13H,2,8-9,15,17H2,1H3