cyclohexylmethyl 2-(1-methyl-6-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate

Systemtic Name: cyclohexylmethyl 2-(1-methyl-6-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate Openeye Name: cyclohexylmethyl 2-(1-methyl-6-oxo-5-pyrazol-1-yl-3-pyridyl)benzoate CAS Name: 2-[1-methyl-6-oxo-5-(1-pyrazolyl)-3-pyridinyl]benzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-(1-methyl-6-oxo-5-pyrazol-1-ylpyridin-3-yl)benzoate Traditional Name: 2-(6-keto-1-methyl-5-pyrazol-1-yl-3-pyridyl)benzoic acid cyclohexylmethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C(C1=O)N2C=CC=N2)C3=CC=CC=C3C(=O)OCC4CCCCC4

Isomeric SMILES

CN1C=C(C=C(C1=O)N2C=CC=N2)C3=CC=CC=C3C(=O)OCC4CCCCC4

InChI

InChI=1S/C23H25N3O3/c1-25-15-18(14-21(22(25)27)26-13-7-12-24-26)19-10-5-6-11-20(19)23(28)29-16-17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9,16H2,1H3