2-[(4-bromophenyl)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile

Systemtic Name: 2-[(4-bromophenyl)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-bromophenyl)methyl]propanedinitrile CAS Name: 2-[(4-bromophenyl)-[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-bromophenyl)methyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(4-bromophenyl)methyl]malononitrile Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Br)C(C#N)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Br)C(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H17BrN4O/c1-14-19(21(27)26(25-14)13-15-5-3-2-4-6-15)20(17(11-23)12-24)16-7-9-18(22)10-8-16/h2-10,17,19-20H,13H2,1H3