ethyl 4-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H34N4O3/c1-2-34-26(33)30-10-8-29(9-11-30)25(32)23-18-31(22-6-4-3-5-7-22)28-24(23)27-15-19-12-20(16-27)14-21(13-19)17-27/h3-7,18-21H,2,8-17H2,1H3