2-[6-(3-aminophenyl)-2-oxidanyl-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoyl-3-fluoranyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[6-(3-aminophenyl)-2-oxidanyl-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoyl-3-fluoranyl-phenyl)methyl]ethanamide Openeye Name: 2-[6-(3-aminophenyl)-2-hydroxy-3-(isopropylamino)phenyl]-N-[(4-carbamimidoyl-3-fluoro-phenyl)methyl]acetamide CAS Name: 2-[6-(3-aminophenyl)-2-hydroxy-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide IUPAC Name: 2-[6-(3-aminophenyl)-2-hydroxy-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide Traditional Name: N-(4-amidino-3-fluoro-benzyl)-2-[6-(3-aminophenyl)-2-hydroxy-3-(isopropylamino)phenyl]acetamide Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=C(C=C1)C2=CC(=CC=C2)N)CC(=O)NCC3=CC(=C(C=C3)C(=N)N)F)O

Isomeric SMILES

CC(C)NC1=C(C(=C(C=C1)C2=CC(=CC=C2)N)CC(=O)NCC3=CC(=C(C=C3)C(=N)N)F)O

InChI

InChI=1S/C25H28FN5O2/c1-14(2)31-22-9-8-18(16-4-3-5-17(27)11-16)20(24(22)33)12-23(32)30-13-15-6-7-19(25(28)29)21(26)10-15/h3-11,14,31,33H,12-13,27H2,1-2H3,(H3,28,29)(H,30,32)