cyanomethyl 4-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: cyanomethyl 4-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: cyanomethyl 4-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-furyl]benzoate CAS Name: 4-[5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-furanyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-furyl]benzoic acid cyanomethyl ester Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC#N

InChI

InChI=1S/C25H20N4O4/c1-17-23(24(30)29(28(17)2)20-6-4-3-5-7-20)27-16-21-12-13-22(33-21)18-8-10-19(11-9-18)25(31)32-15-14-26/h3-13,16H,15H2,1-2H3