3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridazin-6-one Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H21N3O3/c1-24-14-8-6-13(7-9-14)16-5-3-2-4-12-21(16)18(23)15-10-11-17(22)20-19-15/h6-11,16H,2-5,12H2,1H3,(H,20,22)/t16-/m1/s1