(4S)-4-bromanyl-4-[(R)-bromanyl-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4S)-4-bromanyl-4-[(R)-bromanyl-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4S)-4-bromo-4-[(R)-bromo-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4S)-4-bromo-4-[(R)-bromo-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4S)-4-bromo-4-[(R)-bromo-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4S)-4-bromo-4-[(R)-bromo-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H18Br2N4O2 MolecularWeight: 518.20122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2(C(=NN(C2=O)C3=CC=CC=C3)C)Br)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1[C@H]([C@@]2(C(=NN(C2=O)C3=CC=CC=C3)C)Br)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H18Br2N4O2/c1-13-17(19(28)26(24-13)15-9-5-3-6-10-15)18(22)21(23)14(2)25-27(20(21)29)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3/t17-,18+,21+/m0/s1