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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3-iodanylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-iodophenyl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-iodophenyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-iodophenyl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-(3-iodobenzyl)indole-2-carboxamide Formula: C24H21IN4O2 MolecularWeight: 524.35361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21IN4O2/c25-18-7-2-4-15(11-18)13-28-24(31)21-12-19-20(8-3-9-22(19)30)29(21)14-16-5-1-6-17(10-16)23(26)27/h1-12,30H,13-14H2,(H3,26,27)(H,28,31)