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

Systemtic Name: 7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-1-isopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(ethylaminomethyl)-1-pyrrolidinyl]-6,8-difluoro-4-oxo-1-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 7-[3-(ethylaminomethyl)pyrrolidino]-6,8-difluoro-1-isopropyl-4-keto-quinoline-3-carboxylic acid Formula: C20H25F2N3O3 MolecularWeight: 393.427606

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)C)F

Isomeric SMILES

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)C)F

InChI

InChI=1S/C20H25F2N3O3/c1-4-23-8-12-5-6-24(9-12)18-15(21)7-13-17(16(18)22)25(11(2)3)10-14(19(13)26)20(27)28/h7,10-12,23H,4-6,8-9H2,1-3H3,(H,27,28)