5-(azepan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(azepan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(azepan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(1-azepanyl)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(azepan-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(azepan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N2CCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N2CCCCCC2)C

InChI

InChI=1S/C12H19N3O2/c1-9-10(12(16)17)11(14(2)13-9)15-7-5-3-4-6-8-15/h3-8H2,1-2H3,(H,16,17)