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

Systemtic Name: 6-azanyl-4-oxidanylidene-1-(4-piperazin-1-ylpyridin-2-yl)-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-4-oxo-1-(4-piperazin-1-yl-2-pyridyl)-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-4-oxo-1-[4-(1-piperazinyl)-2-pyridinyl]-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-4-oxo-1-(4-piperazin-1-ylpyridin-2-yl)-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-(4-piperazino-2-pyridyl)-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C28H30N8O3 MolecularWeight: 526.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=NC=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C6=CC=CC=N6)N)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC(=NC=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C6=CC=CC=N6)N)C(=O)O

InChI

InChI=1S/C28H30N8O3/c29-22-16-20-23(17-24(22)34-11-13-35(14-12-34)25-3-1-2-5-31-25)36(18-21(27(20)37)28(38)39)26-15-19(4-6-32-26)33-9-7-30-8-10-33/h1-6,15-18,30H,7-14,29H2,(H,38,39)