4-azanyl-8-pentyl-cinnoline-3-carboxylic acid

Systemtic Name: 4-azanyl-8-pentyl-cinnoline-3-carboxylic acid Openeye Name: 4-amino-8-pentyl-cinnoline-3-carboxylic acid CAS Name: 4-amino-8-pentyl-3-cinnolinecarboxylic acid IUPAC Name: 4-amino-8-pentylcinnoline-3-carboxylic acid Traditional Name: 4-amino-8-amyl-cinnoline-3-carboxylic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)O

Isomeric SMILES

CCCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)O

InChI

InChI=1S/C14H17N3O2/c1-2-3-4-6-9-7-5-8-10-11(15)13(14(18)19)17-16-12(9)10/h5,7-8H,2-4,6H2,1H3,(H2,15,16)(H,18,19)