7-(4-tert-butyl-3-methyl-piperazin-1-yl)-6-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-tert-butyl-3-methyl-piperazin-1-yl)-6-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-tert-butyl-3-methyl-piperazin-1-yl)-6-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-tert-butyl-3-methyl-1-piperazinyl)-6-chloro-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-tert-butyl-3-methylpiperazin-1-yl)-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-tert-butyl-3-methyl-piperazino)-6-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C22H28ClN3O3 MolecularWeight: 417.92902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)Cl

Isomeric SMILES

CC1CN(CCN1C(C)(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-13-11-24(7-8-26(13)22(2,3)4)19-10-18-15(9-17(19)23)20(27)16(21(28)29)12-25(18)14-5-6-14/h9-10,12-14H,5-8,11H2,1-4H3,(H,28,29)