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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C#N)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C#N)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

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