1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-[(pyrazin-2-ylcarbonylamino)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-[(pyrazin-2-ylcarbonylamino)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(pyrazine-2-carbonylamino)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[[[oxo(2-pyrazinyl)methyl]amino]methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(pyrazine-2-carbonylamino)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-methyl-4-[(pyrazinoylamino)methyl]piperazino]quinoline-3-carboxylic acid Formula: C25H27FN6O5 MolecularWeight: 510.517483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CNC(=O)C2=NC=CN=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1CNC(=O)C2=NC=CN=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H27FN6O5/c1-14-11-30(7-8-31(14)13-29-24(34)19-10-27-5-6-28-19)21-18(26)9-16-20(23(21)37-2)32(15-3-4-15)12-17(22(16)33)25(35)36/h5-6,9-10,12,14-15H,3-4,7-8,11,13H2,1-2H3,(H,29,34)(H,35,36)