5-azanyl-1-cyclopropyl-6-fluoranyl-7-(3-imidazol-1-ylpropylamino)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-7-(3-imidazol-1-ylpropylamino)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-7-[3-(1-imidazolyl)propylamino]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C20H22FN5O4 MolecularWeight: 415.418183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCCN4C=CN=C4

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCCN4C=CN=C4

InChI

InChI=1S/C20H22FN5O4/c1-30-19-16(24-5-2-7-25-8-6-23-10-25)14(21)15(22)13-17(19)26(11-3-4-11)9-12(18(13)27)20(28)29/h6,8-11,24H,2-5,7,22H2,1H3,(H,28,29)