1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-(3-phenyl-2-pyrazolin-1-yl)butane-1,4-dione Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCC(=O)N4CCC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCC(=O)N4CCC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c30-23(10-11-24(31)29-17-14-20(27-29)18-6-2-1-3-7-18)28-15-12-19(13-16-28)25-26-21-8-4-5-9-22(21)32-25/h1-9,19H,10-17H2