1-cyclopropyl-7-fluoranyl-8-(3-methylpiperazin-1-yl)-4-oxidanylidene-benzo[b][1,8]naphthyridine-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-fluoranyl-8-(3-methylpiperazin-1-yl)-4-oxidanylidene-benzo[b][1,8]naphthyridine-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-fluoro-8-(3-methylpiperazin-1-yl)-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid CAS Name: 1-cyclopropyl-7-fluoro-8-(3-methyl-1-piperazinyl)-4-oxo-3-benzo[b][1,8]naphthyridinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-fluoro-8-(3-methylpiperazin-1-yl)-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-fluoro-4-keto-8-(3-methylpiperazino)benzo[b][1,8]naphthyridine-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC3=NC4=C(C=C3C=C2F)C(=O)C(=CN4C5CC5)C(=O)O

Isomeric SMILES

CC1CN(CCN1)C2=CC3=NC4=C(C=C3C=C2F)C(=O)C(=CN4C5CC5)C(=O)O

InChI

InChI=1S/C21H21FN4O3/c1-11-9-25(5-4-23-11)18-8-17-12(7-16(18)22)6-14-19(27)15(21(28)29)10-26(13-2-3-13)20(14)24-17/h6-8,10-11,13,23H,2-5,9H2,1H3,(H,28,29)