copper; 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; chloride

Systemtic Name: copper; 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; chloride Openeye Name: copper; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; chloride CAS Name: copper; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; chloride IUPAC Name: copper; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; chloride Traditional Name: cupric; 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carboxylate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; chloride Formula: C45H41ClCuFN5O4 MolecularWeight: 833.835543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)[O-])C4CC4)F.CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.[Cl-].[Cu+2]

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)[O-])C4CC4)F.CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.[Cl-].[Cu+2]

InChI

InChI=1S/C26H20N2.C19H22FN3O4.ClH.Cu/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26;;/h3-16H,1-2H3;7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);1H;/q;;;+2/p-2