3-(benzotriazol-1-yl)-3-ethoxy-1-phenyl-dodec-1-yn-4-one

Systemtic Name: 3-(benzotriazol-1-yl)-3-ethoxy-1-phenyl-dodec-1-yn-4-one Openeye Name: 3-(benzotriazol-1-yl)-3-ethoxy-1-phenyl-dodec-1-yn-4-one CAS Name: 3-(1-benzotriazolyl)-3-ethoxy-1-phenyl-1-dodecyn-4-one IUPAC Name: 3-(benzotriazol-1-yl)-3-ethoxy-1-phenyldodec-1-yn-4-one Traditional Name: 3-(benzotriazol-1-yl)-3-ethoxy-1-phenyl-dodec-1-yn-4-one Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2/c1-3-5-6-7-8-12-19-25(30)26(31-4-2,21-20-22-15-10-9-11-16-22)29-24-18-14-13-17-23(24)27-28-29/h9-11,13-18H,3-8,12,19H2,1-2H3