1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)piperidino]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4OS/c29-23(13-12-18-15-25-28(16-18)20-8-2-1-3-9-20)27-14-6-7-19(17-27)24-26-21-10-4-5-11-22(21)30-24/h1-5,8-11,15-16,19H,6-7,12-14,17H2