7-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-amino-1-methyl-ethyl)pyrrolidino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H23F2N3O3 MolecularWeight: 379.401026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)C(C)(C)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)C(C)(C)N)F)C(=O)O

InChI

InChI=1S/C19H23F2N3O3/c1-4-23-9-12(18(26)27)17(25)11-7-13(20)16(14(21)15(11)23)24-6-5-10(8-24)19(2,3)22/h7,9-10H,4-6,8,22H2,1-3H3,(H,26,27)