methyl 5-(cyanomethyl)-3-(oxan-2-yl)imidazole-4-carboxylate

Systemtic Name: methyl 5-(cyanomethyl)-3-(oxan-2-yl)imidazole-4-carboxylate Openeye Name: methyl 5-(cyanomethyl)-3-tetrahydropyran-2-yl-imidazole-4-carboxylate CAS Name: 5-(cyanomethyl)-3-(2-oxanyl)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(cyanomethyl)-3-(oxan-2-yl)imidazole-4-carboxylate Traditional Name: 5-(cyanomethyl)-3-tetrahydropyran-2-yl-imidazole-4-carboxylic acid methyl ester Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CN1C2CCCCO2)CC#N

Isomeric SMILES

COC(=O)C1=C(N=CN1C2CCCCO2)CC#N

InChI

InChI=1S/C12H15N3O3/c1-17-12(16)11-9(5-6-13)14-8-15(11)10-4-2-3-7-18-10/h8,10H,2-5,7H2,1H3