(E)-18-phenyl-17-(1,2,3-triazol-1-yl)octadec-17-en-2-one

Systemtic Name: (E)-18-phenyl-17-(1,2,3-triazol-1-yl)octadec-17-en-2-one Openeye Name: (E)-18-phenyl-17-(triazol-1-yl)octadec-17-en-2-one CAS Name: (E)-18-phenyl-17-(1-triazolyl)-17-octadecen-2-one IUPAC Name: (E)-18-phenyl-17-(triazol-1-yl)octadec-17-en-2-one Traditional Name: (E)-18-phenyl-17-(triazol-1-yl)octadec-17-en-2-one Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCCCCCCC(=CC1=CC=CC=C1)N2C=CN=N2

Isomeric SMILES

CC(=O)CCCCCCCCCCCCCC/C(=C\C1=CC=CC=C1)/N2C=CN=N2

InChI

InChI=1S/C26H39N3O/c1-24(30)17-13-10-8-6-4-2-3-5-7-9-11-16-20-26(29-22-21-27-28-29)23-25-18-14-12-15-19-25/h12,14-15,18-19,21-23H,2-11,13,16-17,20H2,1H3/b26-23+