methyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H27N3O3/c1-29-20(27)13-24-22(28)19-14-26(18-5-3-2-4-6-18)25-21(19)23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,14-17H,7-13H2,1H3,(H,24,28)