1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; phenylcarbonyl benzenecarboperoxoate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; phenylcarbonyl benzenecarboperoxoate Openeye Name: benzoyl benzenecarboperoxoate; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: benzenecarboperoxoic acid benzoyl ester; 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: benzoyl benzenecarboperoxoate; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: benzenecarboperoxoic acid benzoyl ester; 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C31H28FN3O7 MolecularWeight: 573.568323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18FN3O3.C14H10O4/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;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h7-10,19H,1-6H2,(H,23,24);1-10H