1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3OS/c1-16-12-17(2)14-26(13-16)21(27)15-28-23-20-11-7-6-10-19(20)22(24-25-23)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/t16-,17-/m1/s1