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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)O

InChI

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