1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)heptan-1-one

Systemtic Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)heptan-1-one Openeye Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)heptan-1-one CAS Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)-1-heptanone IUPAC Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)heptan-1-one Traditional Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)heptan-1-one Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=CC=C2

InChI

InChI=1S/C18H25N3O2/c1-3-5-6-10-13-16(22)21-17(15-11-8-7-9-12-15)19-18(20-21)23-14-4-2/h7-9,11-12H,3-6,10,13-14H2,1-2H3