5-azanyl-7-[(3S,4S)-3-azanyl-4-propyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[(3S,4S)-3-azanyl-4-propyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S,4S)-3-amino-4-propyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(3S,4S)-3-amino-4-propyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(3S,4S)-3-amino-4-propylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S,4S)-3-amino-4-propyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CC1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CCC[C@H]1CN(C[C@H]1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C21H27FN4O3/c1-3-4-11-7-25(9-14(11)23)19-10(2)18-15(17(24)16(19)22)20(27)13(21(28)29)8-26(18)12-5-6-12/h8,11-12,14H,3-7,9,23-24H2,1-2H3,(H,28,29)/t11-,14+/m0/s1