1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C)C(=O)O

InChI

InChI=1S/C14H21N3O3/c1-10-13(14(19)20)11(2)17(15-10)9-12(18)16-7-5-3-4-6-8-16/h3-9H2,1-2H3,(H,19,20)