4-[[3-bromanyl-4-(dimethylamino)phenyl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[[3-bromanyl-4-(dimethylamino)phenyl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[[3-bromo-4-(dimethylamino)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[3-bromo-4-(dimethylamino)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[3-bromo-4-(dimethylamino)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[[3-bromo-4-(dimethylamino)phenyl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)N(C)C)Br)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)N(C)C)Br)C3=C(NNC3=O)C

InChI

InChI=1S/C17H20BrN5O2/c1-8-13(16(24)21-19-8)15(14-9(2)20-22-17(14)25)10-5-6-12(23(3)4)11(18)7-10/h5-7,15H,1-4H3,(H2,19,21,24)(H2,20,22,25)