tert-butyl 4-[[(E)-(5-imidazol-1-yl-1,3-dimethyl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: tert-butyl 4-[[(E)-(5-imidazol-1-yl-1,3-dimethyl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate Openeye Name: tert-butyl 4-[[(E)-(5-imidazol-1-yl-1,3-dimethyl-pyrazol-4-yl)methyleneamino]oxymethyl]benzoate CAS Name: 4-[[(E)-[5-(1-imidazolyl)-1,3-dimethyl-4-pyrazolyl]methylideneamino]oxymethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(E)-(5-imidazol-1-yl-1,3-dimethyl-pyrazol-4-yl)methyleneamino]oxymethyl]benzoic acid tert-butyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)N3C=CN=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)N3C=CN=C3)C

InChI

InChI=1S/C21H25N5O3/c1-15-18(19(25(5)24-15)26-11-10-22-14-26)12-23-28-13-16-6-8-17(9-7-16)20(27)29-21(2,3)4/h6-12,14H,13H2,1-5H3/b23-12+