diethyl 1-[4-(diethylamino)but-2-ynyl]-4-phenylmethoxy-pyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 1-[4-(diethylamino)but-2-ynyl]-4-phenylmethoxy-pyrazole-3,5-dicarboxylate Openeye Name: diethyl 4-benzyloxy-1-[4-(diethylamino)but-2-ynyl]pyrazole-3,5-dicarboxylate CAS Name: 1-[4-(diethylamino)but-2-ynyl]-4-phenylmethoxypyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[4-(diethylamino)but-2-ynyl]-4-phenylmethoxypyrazole-3,5-dicarboxylate Traditional Name: 4-benzoxy-1-[4-(diethylamino)but-2-ynyl]pyrazole-3,5-dicarboxylic acid diethyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN1C(=C(C(=N1)C(=O)OCC)OCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)CC#CCN1C(=C(C(=N1)C(=O)OCC)OCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H31N3O5/c1-5-26(6-2)16-12-13-17-27-21(24(29)31-8-4)22(20(25-27)23(28)30-7-3)32-18-19-14-10-9-11-15-19/h9-11,14-15H,5-8,16-18H2,1-4H3