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

Systemtic Name: N-[(3-bromophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-indole-2-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-2-indolecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-(3-bromobenzyl)-4-hydroxy-indole-2-carboxamide Formula: C24H21BrN4O2 MolecularWeight: 477.35314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O2/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)