1-[(3S)-3-ethoxy-1-phenyl-hept-1-yn-3-yl]benzotriazole

Systemtic Name: 1-[(3S)-3-ethoxy-1-phenyl-hept-1-yn-3-yl]benzotriazole Openeye Name: 1-[(1S)-1-ethoxy-1-(2-phenylethynyl)pentyl]benzotriazole CAS Name: 1-[(3S)-3-ethoxy-1-phenylhept-1-yn-3-yl]benzotriazole IUPAC Name: 1-[(3S)-3-ethoxy-1-phenylhept-1-yn-3-yl]benzotriazole Traditional Name: 1-[(1S)-1-butyl-1-ethoxy-3-phenyl-prop-2-ynyl]benzotriazole Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/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,3-5,16H2,1-2H3/t21-/m0/s1