1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-[3-(trifluoromethyl)benzyl]indole-2-carboxamide Formula: C25H21F3N4O2 MolecularWeight: 466.45505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O

InChI

InChI=1S/C25H21F3N4O2/c26-25(27,28)18-7-2-4-15(11-18)13-31-24(34)21-12-19-20(8-3-9-22(19)33)32(21)14-16-5-1-6-17(10-16)23(29)30/h1-12,33H,13-14H2,(H3,29,30)(H,31,34)