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

Systemtic Name: 2-[(4-bromophenyl)-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(4-bromophenyl)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)methyl]malononitrile Formula: C20H15BrN4O MolecularWeight: 407.2633

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O/c1-13-18(20(26)25(24-13)17-5-3-2-4-6-17)19(15(11-22)12-23)14-7-9-16(21)10-8-14/h2-10,15,18-19H,1H3