1-(cyclopropylmethyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(cyclopropylmethyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(cyclopropylmethyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(cyclopropylmethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(cyclopropylmethyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(cyclopropylmethyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C18H20FN3O3/c19-14-7-12-15(8-16(14)21-5-3-20-4-6-21)22(9-11-1-2-11)10-13(17(12)23)18(24)25/h7-8,10-11,20H,1-6,9H2,(H,24,25)