8-[(3R)-3-[(1S)-1-azanylbutyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[(3R)-3-[(1S)-1-azanylbutyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[(3R)-3-[(1S)-1-aminobutyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[(3R)-3-[(1S)-1-aminobutyl]-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[(3R)-3-[(1S)-1-aminobutyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[(3R)-3-[(1S)-1-aminobutyl]pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H28FN3O3 MolecularWeight: 401.474423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)N

Isomeric SMILES

CCC[C@@H]([C@@H]1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)N

InChI

InChI=1S/C22H28FN3O3/c1-3-4-18(24)14-7-8-25(10-14)20-12(2)19-15(13-5-6-13)9-16(22(28)29)21(27)26(19)11-17(20)23/h9,11,13-14,18H,3-8,10,24H2,1-2H3,(H,28,29)/t14-,18+/m1/s1