5-bromanyl-6-(4-pentoxyphenyl)-1,2-diazinan-3-one

Systemtic Name: 5-bromanyl-6-(4-pentoxyphenyl)-1,2-diazinan-3-one Openeye Name: 5-bromo-6-(4-pentoxyphenyl)hexahydropyridazin-3-one CAS Name: 5-bromo-6-(4-pentoxyphenyl)-3-diazinanone IUPAC Name: 5-bromo-6-(4-pentoxyphenyl)diazinan-3-one Traditional Name: 6-(4-amoxyphenyl)-5-bromo-hexahydropyridazin-3-one Formula: C15H21BrN2O2 MolecularWeight: 341.24344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(CC(=O)NN2)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C(CC(=O)NN2)Br

InChI

InChI=1S/C15H21BrN2O2/c1-2-3-4-9-20-12-7-5-11(6-8-12)15-13(16)10-14(19)17-18-15/h5-8,13,15,18H,2-4,9-10H2,1H3,(H,17,19)