1-[2-ethyl-7-fluoranyl-1-(methylamino)-8-(4-methylpiperazin-1-yl)-4H-quinolizin-4-yl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[2-ethyl-7-fluoranyl-1-(methylamino)-8-(4-methylpiperazin-1-yl)-4H-quinolizin-4-yl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[2-ethyl-7-fluoro-1-(methylamino)-8-(4-methylpiperazin-1-yl)-4H-quinolizin-4-yl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[2-ethyl-7-fluoro-1-(methylamino)-8-(4-methyl-1-piperazinyl)-4H-quinolizin-4-yl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[2-ethyl-7-fluoro-1-(methylamino)-8-(4-methylpiperazin-1-yl)-4H-quinolizin-4-yl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[2-ethyl-7-fluoro-1-(methylamino)-8-(4-methylpiperazino)-4H-quinolizin-4-yl]-4-keto-quinolizine-3-carboxylic acid Formula: C27H30FN5O3 MolecularWeight: 491.557203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(N2C=C(C(=CC2=C1NC)N3CCN(CC3)C)F)C4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

Isomeric SMILES

CCC1=CC(N2C=C(C(=CC2=C1NC)N3CCN(CC3)C)F)C4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

InChI

InChI=1S/C27H30FN5O3/c1-4-17-13-22(18-14-19(27(35)36)26(34)32-8-6-5-7-21(18)32)33-16-20(28)23(15-24(33)25(17)29-2)31-11-9-30(3)10-12-31/h5-8,13-16,22,29H,4,9-12H2,1-3H3,(H,35,36)