methyl 4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H31N5O3/c1-3-31-16-22(23(29-31)26(34)35-2)28-25(33)21-15-32(20-7-5-4-6-8-20)30-24(21)27-12-17-9-18(13-27)11-19(10-17)14-27/h4-8,15-19H,3,9-14H2,1-2H3,(H,28,33)