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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H29N5OS/c1-19-22(20(2)31(28-19)21-8-4-3-5-9-21)12-13-26(32)30-16-14-29(15-17-30)18-25-27-23-10-6-7-11-24(23)33-25/h3-11H,12-18H2,1-2H3