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

Systemtic Name: ethyl 5-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]-5-oxo-pentanoate CAS Name: 5-[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]valeric acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-3-29-20(27)12-7-11-19(26)23-13-8-14-24(23)21(28)18-15-22-25(16(18)2)17-9-5-4-6-10-17/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3