3-(azepan-1-ylcarbonyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(azepan-1-ylcarbonyl)pyrazine-2-carboxylic acid Openeye Name: 3-(azepane-1-carbonyl)pyrazine-2-carboxylic acid CAS Name: 3-[1-azepanyl(oxo)methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(azepane-1-carbonyl)pyrazine-2-carboxylic acid Traditional Name: 3-(azepane-1-carbonyl)pyrazinoic acid Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C12H15N3O3/c16-11(15-7-3-1-2-4-8-15)9-10(12(17)18)14-6-5-13-9/h5-6H,1-4,7-8H2,(H,17,18)