ethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

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