ethyl 6-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]hexanoic acid ethyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)N1CCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCCCC(=O)N1CCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O4/c1-3-30-21(28)13-8-7-12-20(27)24-14-9-15-25(24)22(29)19-16-23-26(17(19)2)18-10-5-4-6-11-18/h4-6,10-11,16H,3,7-9,12-15H2,1-2H3