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

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

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