2,2-bis(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)propanenitrile

Systemtic Name: 2,2-bis(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)propanenitrile Openeye Name: 2,2-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile CAS Name: 2,2-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile IUPAC Name: 2,2-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile Traditional Name: 2,2-bis(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)propionitrile Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C)(C#N)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1C(C)(C#N)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-15-19(21(29)27(25-15)17-10-6-4-7-11-17)23(3,14-24)20-16(2)26-28(22(20)30)18-12-8-5-9-13-18/h4-13,19-20H,1-3H3