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

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

C1CC(CN(C1)C(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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