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

Systemtic Name: 5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18F2N4O3 MolecularWeight: 364.346626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)N)F)C(=O)O

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C17H18F2N4O3/c18-11-13(21)10-14(12(19)15(11)22-4-3-7(20)5-22)23(8-1-2-8)6-9(16(10)24)17(25)26/h6-8H,1-5,20-21H2,(H,25,26)/t7-/m0/s1