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

Systemtic Name: 2-[3-(heptan-2-ylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(1-methylhexylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(heptan-2-ylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(heptan-2-ylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(1-methylhexylamino)propyl]pyrazole-3-carboxylic acid Formula: C14H23N3O3 MolecularWeight: 281.35072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCN1C(=CC=N1)C(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)CCN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C14H23N3O3/c1-3-4-5-6-11(2)16-13(18)8-10-17-12(14(19)20)7-9-15-17/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,18)(H,19,20)