(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[(4-phenyl-1-phthalazinyl)thio]-1-propanone IUPAC Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidino]-2-[(4-phenylphthalazin-1-yl)thio]propan-1-one Formula: C24H27N3OS MolecularWeight: 405.55568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3OS/c1-16-10-9-11-17(2)27(16)24(28)18(3)29-23-21-15-8-7-14-20(21)22(25-26-23)19-12-5-4-6-13-19/h4-8,12-18H,9-11H2,1-3H3/t16-,17-,18-/m1/s1