4-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]-2-phenyl-pyridazin-3-one Formula: C17H20ClN3O MolecularWeight: 317.8132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C17H20ClN3O/c1-12-8-13(2)11-20(10-12)15-9-19-21(17(22)16(15)18)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13-/m1/s1