2-[3-(hexylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(hexylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(hexylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(hexylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(hexylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(hexylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCN1C(=CC=N1)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)CCN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C13H21N3O3/c1-2-3-4-5-8-14-12(17)7-10-16-11(13(18)19)6-9-15-16/h6,9H,2-5,7-8,10H2,1H3,(H,14,17)(H,18,19)