(E)-4-(benzotriazol-1-yl)-4-ethoxy-2-methyl-1-phenyl-dodec-1-en-5-yn-3-one

Systemtic Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-2-methyl-1-phenyl-dodec-1-en-5-yn-3-one Openeye Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-2-methyl-1-phenyl-dodec-1-en-5-yn-3-one CAS Name: (E)-4-(1-benzotriazolyl)-4-ethoxy-2-methyl-1-phenyl-3-dodec-1-en-5-ynone IUPAC Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-2-methyl-1-phenyldodec-1-en-5-yn-3-one Traditional Name: (E)-4-(benzotriazol-1-yl)-4-ethoxy-2-methyl-1-phenyl-dodec-1-en-5-yn-3-one Formula: C27H31N3O2 MolecularWeight: 429.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2/c1-4-6-7-8-9-15-20-27(32-5-2,30-25-19-14-13-18-24(25)28-29-30)26(31)22(3)21-23-16-11-10-12-17-23/h10-14,16-19,21H,4-9H2,1-3H3/b22-21+