2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-[(2S)-2-methylpiperidino]ethanone Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3OS/c1-15-6-4-5-13-26(15)20(27)14-28-22-19-8-3-2-7-18(19)21(24-25-22)16-9-11-17(23)12-10-16/h2-3,7-12,15H,4-6,13-14H2,1H3/t15-/m0/s1