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

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N4OS/c1-18-21(19(2)30(28-18)20-10-4-3-5-11-20)15-16-25(31)29-17-9-8-13-23(29)26-27-22-12-6-7-14-24(22)32-26/h3-7,10-12,14,23H,8-9,13,15-17H2,1-2H3/t23-/m0/s1