diethyl 4-(cyclohexylcarbonylamino)-1-phenyl-pyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 4-(cyclohexylcarbonylamino)-1-phenyl-pyrazole-3,5-dicarboxylate Openeye Name: diethyl 4-(cyclohexanecarbonylamino)-1-phenyl-pyrazole-3,5-dicarboxylate CAS Name: 4-[[cyclohexyl(oxo)methyl]amino]-1-phenylpyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(cyclohexanecarbonylamino)-1-phenylpyrazole-3,5-dicarboxylate Traditional Name: 4-(cyclohexanecarbonylamino)-1-phenyl-pyrazole-3,5-dicarboxylic acid diethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OCC)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OCC)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H27N3O5/c1-3-29-21(27)18-17(23-20(26)15-11-7-5-8-12-15)19(22(28)30-4-2)25(24-18)16-13-9-6-10-14-16/h6,9-10,13-15H,3-5,7-8,11-12H2,1-2H3,(H,23,26)