1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-naphthalen-1-yl-2-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-naphthalen-1-yl-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(1-naphthyl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(1-naphthalenyl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-naphthalen-1-yl-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(1-naphthyl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OCC(CO1)(C)C(=O)C(CC2=CC=CC3=CC=CC=C32)N4C=NC=N4

Isomeric SMILES

CCC1OCC(CO1)(C)C(=O)C(CC2=CC=CC3=CC=CC=C32)N4C=NC=N4

InChI

InChI=1S/C22H25N3O3/c1-3-20-27-12-22(2,13-28-20)21(26)19(25-15-23-14-24-25)11-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,14-15,19-20H,3,11-13H2,1-2H3