4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N4OS/c1-17-20(24(29)28(26(17)2)19-8-4-3-5-9-19)16-27-14-12-18(13-15-27)23-25-21-10-6-7-11-22(21)30-23/h3-11,18H,12-16H2,1-2H3