7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H30FN5O5 MolecularWeight: 499.534603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)NCCC#N

Isomeric SMILES

CC(=O)NCC(C1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)NCCC#N

InChI

InChI=1S/C25H30FN5O5/c1-14(32)29-11-20(28-8-3-7-27)15-6-9-30(12-15)22-19(26)10-17-21(24(22)36-2)31(16-4-5-16)13-18(23(17)33)25(34)35/h10,13,15-16,20,28H,3-6,8-9,11-12H2,1-2H3,(H,29,32)(H,34,35)