6-chloranyl-8-cyano-1-cyclopropyl-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-cyano-1-cyclopropyl-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-8-cyano-1-cyclopropyl-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-8-cyano-1-cyclopropyl-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-8-cyano-1-cyclopropyl-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-8-cyano-1-cyclopropyl-4-keto-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)quinoline-3-carboxylic acid Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC1CN2C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)O)C5CC5)Cl

Isomeric SMILES

CN1CC2CC1CN2C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)O)C5CC5)Cl

InChI

InChI=1S/C20H19ClN4O3/c1-23-7-12-4-11(23)8-24(12)18-14(6-22)17-13(5-16(18)21)19(26)15(20(27)28)9-25(17)10-2-3-10/h5,9-12H,2-4,7-8H2,1H3,(H,27,28)