1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; pyrazine-2-carboxamide

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; pyrazine-2-carboxamide Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; pyrazine-2-carboxamide CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 2-pyrazinecarboxamide IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; pyrazine-2-carboxamide Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid; pyrazinamide Formula: C22H23FN6O4 MolecularWeight: 454.454223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1=CN=C(C=N1)C(=O)N

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1=CN=C(C=N1)C(=O)N

InChI

InChI=1S/C17H18FN3O3.C5H5N3O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;6-5(9)4-3-7-1-2-8-4/h7-10,19H,1-6H2,(H,23,24);1-3H,(H2,6,9)