4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; quinolin-2-yl hydrogen sulfate

Systemtic Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; quinolin-2-yl hydrogen sulfate Openeye Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-quinolyl hydrogen sulfate CAS Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone; sulfuric acid 2-quinolinyl ester IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; quinolin-2-yl hydrogen sulfate Traditional Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; sulfuric acid 2-quinolyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC=C2C(=C1)C=CC(=N2)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC=C2C(=C1)C=CC(=N2)OS(=O)(=O)O

InChI

InChI=1S/C13H17N3O.C9H7NO4S/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;11-15(12,13)14-9-6-5-7-3-1-2-4-8(7)10-9/h5-9H,1-4H3;1-6H,(H,11,12,13)