1-[3-(1,2,4-triazol-1-yl)propanoylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cycloheptanecarboxylic acid CAS Name: 1-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cycloheptane-1-carboxylic acid Traditional Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cycloheptanecarboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C13H20N4O3/c18-11(5-8-17-10-14-9-15-17)16-13(12(19)20)6-3-1-2-4-7-13/h9-10H,1-8H2,(H,16,18)(H,19,20)