3-azanyl-N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-chloranyl-4-fluoranyl-benzamide hydrochloride

Systemtic Name: 3-azanyl-N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-chloranyl-4-fluoranyl-benzamide hydrochloride Openeye Name: 3-amino-N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-chloro-4-fluoro-benzamide hydrochloride CAS Name: 3-amino-N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-5-chloro-4-fluorobenzamide hydrochloride IUPAC Name: 3-amino-N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-5-chloro-4-fluorobenzamide hydrochloride Traditional Name: N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-3-amino-5-chloro-4-fluoro-benzamide hydrochloride Formula: C17H18Cl2FN5O3 MolecularWeight: 430.260923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)OCC(=O)N)CNC(=O)C2=CC(=C(C(=C2)Cl)F)N.Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)OCC(=O)N)CNC(=O)C2=CC(=C(C(=C2)Cl)F)N.Cl

InChI

InChI=1S/C17H17ClFN5O3.ClH/c18-11-3-10(4-12(20)15(11)19)17(26)24-6-9-2-1-8(16(22)23)5-13(9)27-7-14(21)25;/h1-5H,6-7,20H2,(H2,21,25)(H3,22,23)(H,24,26);1H