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

Systemtic Name: 2-[6-(3-aminophenyl)-2-fluoranyl-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-aminophenyl)-2-fluoro-3-(isopropylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-aminophenyl)-2-fluoro-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-aminophenyl)-2-fluoro-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-aminophenyl)-2-fluoro-3-(isopropylamino)phenyl]acetamide Formula: C25H28FN5O MolecularWeight: 433.521123

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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

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

InChI

InChI=1S/C25H28FN5O/c1-15(2)31-22-11-10-20(18-4-3-5-19(27)12-18)21(24(22)26)13-23(32)30-14-16-6-8-17(9-7-16)25(28)29/h3-12,15,31H,13-14,27H2,1-2H3,(H3,28,29)(H,30,32)