3-ethyl-3-methyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)heptan-2-one

Systemtic Name: 3-ethyl-3-methyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)heptan-2-one Openeye Name: 3-ethyl-3-methyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)heptan-2-one CAS Name: 3-ethyl-3-methyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)-2-heptanone IUPAC Name: 3-ethyl-3-methyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)heptan-2-one Traditional Name: 3-ethyl-3-methyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)heptan-2-one Formula: C24H29N3O2 MolecularWeight: 391.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C)(CC)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-4-6-16-24(3,5-2)22(28)23(27-18-25-17-26-27)29-21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-15,17-18,23H,4-6,16H2,1-3H3