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

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethanone Formula: C23H24FN3OS MolecularWeight: 409.519563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3OS/c1-2-18-7-5-6-14-27(18)21(28)15-29-23-20-9-4-3-8-19(20)22(25-26-23)16-10-12-17(24)13-11-16/h3-4,8-13,18H,2,5-7,14-15H2,1H3/t18-/m0/s1