1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(piperazin-1-ylmethyl)-8,8a-dihydroquinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(piperazin-1-ylmethyl)-8,8a-dihydroquinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperazin-1-ylmethyl)-8,8a-dihydroquinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinylmethyl)-8,8a-dihydroquinoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperazin-1-ylmethyl)-8,8a-dihydroquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(piperazinomethyl)-8,8a-dihydroquinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(C32)F)CN4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(C32)F)CN4CCNCC4)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c19-14-7-11-16(15(20)12(14)8-22-5-3-21-4-6-22)23(10-1-2-10)9-13(17(11)24)18(25)26/h7,9-10,15-16,21H,1-6,8H2,(H,25,26)