3-(azepan-1-ylcarbonyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(azepan-1-ylcarbonyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(azepane-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[1-azepanyl(oxo)methyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(azepane-1-carbonyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(azepane-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCCCCC2)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCCCCC2)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-14-8-9(12(17)18)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3,(H,17,18)