6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-benzyl-pyridazin-3-one CAS Name: 6-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-benzylpyridazin-3-one Traditional Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-benzyl-pyridazin-3-one Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N4O2S/c28-21-13-12-18(25-27(21)15-16-7-2-1-3-8-16)23(29)26-14-6-10-19(26)22-24-17-9-4-5-11-20(17)30-22/h1-5,7-9,11-13,19H,6,10,14-15H2/t19-/m1/s1