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

Systemtic Name: prop-2-ynyl 3-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: prop-2-ynyl 3-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-furyl]benzoate CAS Name: 3-[5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-furanyl]benzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-furyl]benzoic acid propargyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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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(=CC=C4)C(=O)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O4/c1-4-15-32-26(31)20-10-8-9-19(16-20)23-14-13-22(33-23)17-27-24-18(2)28(3)29(25(24)30)21-11-6-5-7-12-21/h1,5-14,16-17H,15H2,2-3H3