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

Systemtic Name: 8-(3-azanyl-3-phenyl-azetidin-1-yl)-1-cyclopropyl-7-fluoranyl-4-oxidanylidene-benzo[b][1,8]naphthyridine-3-carboxylic acid Openeye Name: 8-(3-amino-3-phenyl-azetidin-1-yl)-1-cyclopropyl-7-fluoro-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid CAS Name: 8-(3-amino-3-phenyl-1-azetidinyl)-1-cyclopropyl-7-fluoro-4-oxo-3-benzo[b][1,8]naphthyridinecarboxylic acid IUPAC Name: 8-(3-amino-3-phenylazetidin-1-yl)-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid Traditional Name: 8-(3-amino-3-phenyl-azetidin-1-yl)-1-cyclopropyl-7-fluoro-4-keto-benzo[b][1,8]naphthyridine-3-carboxylic acid Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2N=C4C=C(C(=CC4=C3)F)N5CC(C5)(C6=CC=CC=C6)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2N=C4C=C(C(=CC4=C3)F)N5CC(C5)(C6=CC=CC=C6)N)C(=O)O

InChI

InChI=1S/C25H21FN4O3/c26-19-9-14-8-17-22(31)18(24(32)33)11-30(16-6-7-16)23(17)28-20(14)10-21(19)29-12-25(27,13-29)15-4-2-1-3-5-15/h1-5,8-11,16H,6-7,12-13,27H2,(H,32,33)