1-[2-(1,2,4-triazol-1-yl)propanoylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-(1,2,4-triazol-1-yl)propanoylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(1,2,4-triazol-1-yl)propanoylamino]cycloheptanecarboxylic acid CAS Name: 1-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(1,2,4-triazol-1-yl)propanoylamino]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(1,2,4-triazol-1-yl)propanoylamino]cycloheptanecarboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCCC1)C(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC1(CCCCCC1)C(=O)O)N2C=NC=N2

InChI

InChI=1S/C13H20N4O3/c1-10(17-9-14-8-15-17)11(18)16-13(12(19)20)6-4-2-3-5-7-13/h8-10H,2-7H2,1H3,(H,16,18)(H,19,20)