7-[3-[2-(aminomethyl)-1H-imidazol-5-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[2-(aminomethyl)-1H-imidazol-5-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-(aminomethyl)-1H-imidazol-5-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-(aminomethyl)-1H-imidazol-5-yl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-5-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-(aminomethyl)-1H-imidazol-5-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-(aminomethyl)-1H-imidazol-5-yl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-5-methyl-quinoline-3-carboxylic acid Formula: C23H26FN5O4 MolecularWeight: 455.482043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCC(C3)C4=CN=C(N4)CN)OC)N(C=C(C2=O)C(=O)O)C5CC5

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCC(C3)C4=CN=C(N4)CN)OC)N(C=C(C2=O)C(=O)O)C5CC5

InChI

InChI=1S/C23H26FN5O4/c1-11-17-19(29(13-3-4-13)10-14(21(17)30)23(31)32)22(33-2)20(18(11)24)28-6-5-12(9-28)15-8-26-16(7-25)27-15/h8,10,12-13H,3-7,9,25H2,1-2H3,(H,26,27)(H,31,32)