1-methyl-6-(methylamino)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-methyl-6-(methylamino)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-methyl-6-(methylamino)-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-methyl-6-(methylamino)-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-methyl-6-(methylamino)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 4-keto-1-methyl-6-(methylamino)-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)C(=O)C(=CN2C)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CNC1=C(C=C2C(=C1)C(=O)C(=CN2C)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O3/c1-22-16-11-14-17(24(2)13-15(20(14)27)21(28)29)12-18(16)25-7-9-26(10-8-25)19-5-3-4-6-23-19/h3-6,11-13,22H,7-10H2,1-2H3,(H,28,29)