3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one

Systemtic Name: 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Openeye Name: 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one CAS Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1-(2-fluorophenyl)-6-methyl-4-pyridazinone IUPAC Name: 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Formula: C24H21FN4O2S MolecularWeight: 448.512543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21FN4O2S/c1-15-13-20(30)22(27-29(15)19-10-4-2-8-17(19)25)24(31)28-12-6-7-16(14-28)23-26-18-9-3-5-11-21(18)32-23/h2-5,8-11,13,16H,6-7,12,14H2,1H3/t16-/m1/s1