5-[[(2-azanyl-2-phenyl-ethanoyl)amino]methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 5-[[(2-azanyl-2-phenyl-ethanoyl)amino]methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 5-[[(2-amino-2-phenyl-acetyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 5-[[(2-amino-1-oxo-2-phenylethyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methyl-1-pyrrolidinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 5-[[(2-amino-2-phenylacetyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 5-[[(2-amino-2-phenyl-acetyl)amino]methyl]-1-cyclopropyl-6-fluoro-4-keto-2-(3-methylpyrrolidino)-1,8-naphthyridine-3-carboxylic acid Formula: C26H28FN5O4 MolecularWeight: 493.530023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=O)C3=C(C(=CN=C3N2C4CC4)F)CNC(=O)C(C5=CC=CC=C5)N)C(=O)O

Isomeric SMILES

CC1CCN(C1)C2=C(C(=O)C3=C(C(=CN=C3N2C4CC4)F)CNC(=O)C(C5=CC=CC=C5)N)C(=O)O

InChI

InChI=1S/C26H28FN5O4/c1-14-9-10-31(13-14)25-20(26(35)36)22(33)19-17(18(27)12-29-23(19)32(25)16-7-8-16)11-30-24(34)21(28)15-5-3-2-4-6-15/h2-6,12,14,16,21H,7-11,13,28H2,1H3,(H,30,34)(H,35,36)