7-[7a-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[7a-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[7a-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[7a-(4-methyl-1-piperazinyl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[7a-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[7a-(4-methylpiperazino)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H29FN6O3 MolecularWeight: 456.513163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C4(CCCCC4N=N3)N5CCN(CC5)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C4(CCCCC4N=N3)N5CCN(CC5)C)F)C(=O)O

InChI

InChI=1S/C23H29FN6O3/c1-3-28-14-16(22(32)33)21(31)15-12-17(24)19(13-18(15)28)30-23(29-10-8-27(2)9-11-29)7-5-4-6-20(23)25-26-30/h12-14,20H,3-11H2,1-2H3,(H,32,33)