[2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-keto-2-[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c1-17-15-22(23(30)16-33-26(32)20-11-7-5-8-12-20)18(2)28(17)24-19(3)27(4)29(25(24)31)21-13-9-6-10-14-21/h5-15H,16H2,1-4H3