methyl 2-[(4E)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-4-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C1=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)CC\1=NN(C(=O)/C1=C/C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C32H32N4O3/c1-39-29(37)16-28-27(31(38)36(33-28)26-10-6-3-7-11-26)15-24-20-35(25-8-4-2-5-9-25)34-30(24)32-17-21-12-22(18-32)14-23(13-21)19-32/h2-11,15,20-23H,12-14,16-19H2,1H3/b27-15+