(3E,5E)-3,5-bis[(1-methylpyrazol-4-yl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: (3E,5E)-3,5-bis[(1-methylpyrazol-4-yl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-3,5-bis[(1-methylpyrazol-4-yl)methylene]-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: (3E,5E)-3,5-bis[(1-methyl-4-pyrazolyl)methylidene]-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-3,5-bis[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: (3E,5E)-4-keto-3,5-bis[(1-methylpyrazol-4-yl)methylene]-1-phenyl-cyclohexanecarbonitrile Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C2CC(CC(=CC3=CN(N=C3)C)C2=O)(C#N)C4=CC=CC=C4

Isomeric SMILES

CN1N=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CN(N=C3)C)/CC(C2)(C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N5O/c1-27-14-17(12-25-27)8-19-10-23(16-24,21-6-4-3-5-7-21)11-20(22(19)29)9-18-13-26-28(2)15-18/h3-9,12-15H,10-11H2,1-2H3/b19-8+,20-9+