ethyl 5-(1-adamantylcarbonylamino)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonylamino)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonylamino)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27N3O3/c1-2-29-21(27)19-14-24-26(18-6-4-3-5-7-18)20(19)25-22(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h3-7,14-17H,2,8-13H2,1H3,(H,25,28)