1-[(E)-3-ethoxy-7-phenyl-hept-6-en-4-yn-3-yl]benzotriazole

Systemtic Name: 1-[(E)-3-ethoxy-7-phenyl-hept-6-en-4-yn-3-yl]benzotriazole Openeye Name: 1-[(E)-1-ethoxy-1-ethyl-5-phenyl-pent-4-en-2-ynyl]benzotriazole CAS Name: 1-[(E)-3-ethoxy-7-phenylhept-6-en-4-yn-3-yl]benzotriazole IUPAC Name: 1-[(E)-3-ethoxy-7-phenylhept-6-en-4-yn-3-yl]benzotriazole Traditional Name: 1-[(E)-1-ethoxy-1-ethyl-5-phenyl-pent-4-en-2-ynyl]benzotriazole Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C#C/C=C/C1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C21H21N3O/c1-3-21(25-4-2,17-11-10-14-18-12-6-5-7-13-18)24-20-16-9-8-15-19(20)22-23-24/h5-10,12-16H,3-4H2,1-2H3/b14-10+