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

Systemtic Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-3-chloranyl-4-fluoranyl-benzamide Openeye Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methyl]-3-chloro-4-fluoro-benzamide CAS Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-chloro-4-fluorobenzamide IUPAC Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-chloro-4-fluorobenzamide Traditional Name: N-[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]-3-chloro-4-fluoro-benzamide Formula: C18H18ClFN4O3 MolecularWeight: 392.811923

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H18ClFN4O3/c1-23-16(25)9-27-15-7-10(17(21)22)2-3-12(15)8-24-18(26)11-4-5-14(20)13(19)6-11/h2-7H,8-9H2,1H3,(H3,21,22)(H,23,25)(H,24,26)