7-[(3R)-3-azanylazepan-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; 1-[N'-[6-[[azanyl-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine

Systemtic Name: 7-[(3R)-3-azanylazepan-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; 1-[N'-[6-[[azanyl-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine Openeye Name: 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine CAS Name: 1-[amino-[6-[[amino-[[amino(2-ethylhexylimino)methyl]amino]methylidene]amino]hexylimino]methyl]-2-(2-ethylhexyl)guanidine; 7-[(3R)-3-amino-1-azepanyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine Traditional Name: 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid; 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)amidino]amino]methylene]amino]hexyl]amidino]-2-(2-ethylhexyl)guanidine Formula: C45H77ClFN13O3 MolecularWeight: 902.629583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C26H56N10.C19H21ClFN3O3/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);7,9-11H,1-6,8,22H2,(H,26,27)/t;10-/m.1/s1