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

Systemtic Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C16H18BrN3O3 MolecularWeight: 380.23642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COCOC1)C(=O)C(CC2=CC=C(C=C2)Br)N3C=NC=N3

Isomeric SMILES

CC1(COCOC1)C(=O)C(CC2=CC=C(C=C2)Br)N3C=NC=N3

InChI

InChI=1S/C16H18BrN3O3/c1-16(7-22-11-23-8-16)15(21)14(20-10-18-9-19-20)6-12-2-4-13(17)5-3-12/h2-5,9-10,14H,6-8,11H2,1H3