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

Systemtic Name: 6-azanyl-7-chloranyl-4-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-7-chloro-4-oxo-1-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-7-chloro-4-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-chloro-4-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-7-chloro-4-keto-1-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)N3C=C(C(=O)C4=CC(=C(C=C43)Cl)N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)N3C=C(C(=O)C4=CC(=C(C=C43)Cl)N)C(=O)O

InChI

InChI=1S/C19H18ClN5O3/c20-14-10-16-12(9-15(14)21)18(26)13(19(27)28)11-25(16)24-7-5-23(6-8-24)17-3-1-2-4-22-17/h1-4,9-11H,5-8,21H2,(H,27,28)