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

Systemtic Name: propyl 4-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

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