ethyl 1-tert-butyl-7,9-bis(fluoranyl)-4-oxidanylidene-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-7,9-bis(fluoranyl)-4-oxidanylidene-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylate Openeye Name: ethyl 1-tert-butyl-7,9-difluoro-4-oxo-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylate CAS Name: 1-tert-butyl-7,9-difluoro-4-oxo-8-(1-piperazinyl)-3-benzo[b][1,8]naphthyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-7,9-difluoro-4-oxo-8-piperazin-1-ylbenzo[b][1,8]naphthyridine-3-carboxylate Traditional Name: 1-tert-butyl-7,9-difluoro-4-keto-8-piperazino-benzo[b][1,8]naphthyridine-3-carboxylic acid ethyl ester Formula: C23H26F2N4O3 MolecularWeight: 444.474346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=C3C=C(C(=C(C3=N2)F)N4CCNCC4)F)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=C3C=C(C(=C(C3=N2)F)N4CCNCC4)F)C(C)(C)C

InChI

InChI=1S/C23H26F2N4O3/c1-5-32-22(31)15-12-29(23(2,3)4)21-14(20(15)30)10-13-11-16(24)19(17(25)18(13)27-21)28-8-6-26-7-9-28/h10-12,26H,5-9H2,1-4H3