2-[(4-bromophenyl)-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile

Systemtic Name: 2-[(4-bromophenyl)-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(4-bromophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(4-bromophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(4-bromophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(4-bromophenyl)-(3-keto-5-propyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C16H15BrN4O MolecularWeight: 359.2205

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Br)C(C#N)C#N

Isomeric SMILES

CCCC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Br)C(C#N)C#N

InChI

InChI=1S/C16H15BrN4O/c1-2-3-13-15(16(22)21-20-13)14(11(8-18)9-19)10-4-6-12(17)7-5-10/h4-7,11,14H,2-3H2,1H3,(H2,20,21,22)