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

Systemtic Name: 6-azanyl-1-cyclopropyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)O

InChI

InChI=1S/C22H23N5O3/c23-17-11-15-18(27(14-4-5-14)13-16(21(15)28)22(29)30)12-19(17)25-7-9-26(10-8-25)20-3-1-2-6-24-20/h1-3,6,11-14H,4-5,7-10,23H2,(H,29,30)