2-azanyl-2-pyridin-4-ylcarbonyl-azepane-1-carboxylic acid

Systemtic Name: 2-azanyl-2-pyridin-4-ylcarbonyl-azepane-1-carboxylic acid Openeye Name: 2-amino-2-(pyridine-4-carbonyl)azepane-1-carboxylic acid CAS Name: 2-amino-2-[oxo(pyridin-4-yl)methyl]-1-azepanecarboxylic acid IUPAC Name: 2-amino-2-(pyridine-4-carbonyl)azepane-1-carboxylic acid Traditional Name: 2-amino-2-isonicotinoyl-azepane-1-carboxylic acid Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)O)(C(=O)C2=CC=NC=C2)N

Isomeric SMILES

C1CCC(N(CC1)C(=O)O)(C(=O)C2=CC=NC=C2)N

InChI

InChI=1S/C13H17N3O3/c14-13(11(17)10-4-7-15-8-5-10)6-2-1-3-9-16(13)12(18)19/h4-5,7-8H,1-3,6,9,14H2,(H,18,19)