4-oxidanylidene-2-(piperazin-1-ylmethyl)-1H-quinoline-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(piperazin-1-ylmethyl)-1H-quinoline-6-carboxylic acid Openeye Name: 4-oxo-2-(piperazin-1-ylmethyl)-1H-quinoline-6-carboxylic acid CAS Name: 4-oxo-2-(1-piperazinylmethyl)-1H-quinoline-6-carboxylic acid IUPAC Name: 4-oxo-2-(piperazin-1-ylmethyl)-1H-quinoline-6-carboxylic acid Traditional Name: 4-keto-2-(piperazinomethyl)-1H-quinoline-6-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1)CC2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C15H17N3O3/c19-14-8-11(9-18-5-3-16-4-6-18)17-13-2-1-10(15(20)21)7-12(13)14/h1-2,7-8,16H,3-6,9H2,(H,17,19)(H,20,21)