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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)N5CCN(CC5)C6=CC=CC=N6)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)N5CCN(CC5)C6=CC=CC=N6)N

InChI

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