1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-pyridin-4-ylcarbonyliminopropyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-pyridin-4-ylcarbonyliminopropyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyridine-4-carbonylimino)propyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-[oxo(pyridin-4-yl)methyl]iminopropyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyridine-4-carbonylimino)propyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-7-[4-(2-isonicotinoyliminopropyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C27H30FN5O4 MolecularWeight: 507.556603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(=O)C1=CC=NC=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)F

Isomeric SMILES

CC(=NC(=O)C1=CC=NC=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)F

InChI

InChI=1S/C27H30FN5O4/c1-17(30-25(35)18-5-7-29-8-6-18)15-31-9-11-32(12-10-31)23-14-22-19(13-21(23)28)24(34)20(26(36)37)16-33(22)27(2,3)4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,36,37)