(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3/c1-16-21(13-26)22(29(28-16)20-5-3-2-4-6-20)15-32-23(30)14-27-24(31)25-10-17-7-18(11-25)9-19(8-17)12-25/h2-6,17-19H,7-12,14-15H2,1H3,(H,27,31)