4-[bis(1-methyl-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(1-methyl-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)methyl]benzonitrile CAS Name: 4-[bis(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)methyl]benzonitrile IUPAC Name: 4-[bis(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)methyl]benzonitrile Traditional Name: 4-[bis(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-yl)methyl]benzonitrile Formula: C28H23N5O2 MolecularWeight: 461.51452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=N1)C2=CC=CC=C2)C(C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C(=O)C(C(=N1)C2=CC=CC=C2)C(C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H23N5O2/c1-32-27(34)23(25(30-32)20-9-5-3-6-10-20)22(19-15-13-18(17-29)14-16-19)24-26(31-33(2)28(24)35)21-11-7-4-8-12-21/h3-16,22-24H,1-2H3