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

Systemtic Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-4-fluoranyl-3-methyl-benzamide Openeye Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methyl]-4-fluoro-3-methyl-benzamide CAS Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4-fluoro-3-methylbenzamide IUPAC Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4-fluoro-3-methylbenzamide Traditional Name: N-[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]-4-fluoro-3-methyl-benzamide Formula: C19H21FN4O3 MolecularWeight: 372.393443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)NC)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)NC)F

InChI

InChI=1S/C19H21FN4O3/c1-11-7-13(5-6-15(11)20)19(26)24-9-14-4-3-12(18(21)22)8-16(14)27-10-17(25)23-2/h3-8H,9-10H2,1-2H3,(H3,21,22)(H,23,25)(H,24,26)