3-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[[1-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]amino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid Formula: C14H25N7O3 MolecularWeight: 339.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CC(=O)NC2=NNC(=C2)C(=O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)CC(=O)NC2=NNC(=C2)C(=O)O

InChI

InChI=1S/C14H25N7O3/c22-13(18-12-9-11(14(23)24)19-20-12)10-21-7-5-16-3-1-15-2-4-17-6-8-21/h9,15-17H,1-8,10H2,(H,23,24)(H2,18,19,20,22)