2-[(3R)-1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-4-methyl-1-oxidanylidene-pentan-3-yl]propanedinitrile

Systemtic Name: 2-[(3R)-1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-4-methyl-1-oxidanylidene-pentan-3-yl]propanedinitrile Openeye Name: 2-[(1R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-isopropyl-3-oxo-propyl]propanedinitrile CAS Name: 2-[(3R)-1-(4-bromo-3,5-dimethyl-1-pyrazolyl)-4-methyl-1-oxopentan-3-yl]propanedinitrile IUPAC Name: 2-[(3R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-3-yl]propanedinitrile Traditional Name: 2-[(1R)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-isopropyl-3-keto-propyl]malononitrile Formula: C14H17BrN4O MolecularWeight: 337.21498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CC(C(C)C)C(C#N)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C[C@H](C(C)C)C(C#N)C#N)C)Br

InChI

InChI=1S/C14H17BrN4O/c1-8(2)12(11(6-16)7-17)5-13(20)19-10(4)14(15)9(3)18-19/h8,11-12H,5H2,1-4H3/t12-/m1/s1