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

Systemtic Name: methyl 6-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CCCCC(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CCCCC(=O)OC

InChI

InChI=1S/C21H26N4O4/c1-16-18(15-22-25(16)17-9-4-3-5-10-17)21(28)24-14-8-13-23(24)19(26)11-6-7-12-20(27)29-2/h3-5,9-10,15H,6-8,11-14H2,1-2H3