7-(7a-piperidin-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-piperidin-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-(1-piperidyl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[7a-(1-piperidinyl)-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-piperidin-1-yl-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-piperidino-4,5,6,7-tetrahydro-3aH-benzotriazol-1-yl)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H28FN5O3 MolecularWeight: 441.498523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C4(CCCCC4N=N3)N5CCCCC5)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C4(CCCCC4N=N3)N5CCCCC5)F)C(=O)O

InChI

InChI=1S/C23H28FN5O3/c1-2-27-14-16(22(31)32)21(30)15-12-17(24)19(13-18(15)27)29-23(28-10-6-3-7-11-28)9-5-4-8-20(23)25-26-29/h12-14,20H,2-11H2,1H3,(H,31,32)