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

Systemtic Name: 4-[bis(3-tert-butyl-1-methyl-5-oxidanylidene-4H-pyrazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(3-tert-butyl-1-methyl-5-oxo-4H-pyrazol-4-yl)methyl]benzonitrile CAS Name: 4-[bis(3-tert-butyl-1-methyl-5-oxo-4H-pyrazol-4-yl)methyl]benzonitrile IUPAC Name: 4-[bis(3-tert-butyl-1-methyl-5-oxo-4H-pyrazol-4-yl)methyl]benzonitrile Traditional Name: 4-[bis(3-tert-butyl-5-keto-1-methyl-2-pyrazolin-4-yl)methyl]benzonitrile Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1C(C2C(=NN(C2=O)C)C(C)(C)C)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1C(C2C(=NN(C2=O)C)C(C)(C)C)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C24H31N5O2/c1-23(2,3)19-17(21(30)28(7)26-19)16(15-11-9-14(13-25)10-12-15)18-20(24(4,5)6)27-29(8)22(18)31/h9-12,16-18H,1-8H3