5-azanyl-N,1-bis[(3-carbamimidoylphenyl)methyl]indole-2-carboxamide

Systemtic Name: 5-azanyl-N,1-bis[(3-carbamimidoylphenyl)methyl]indole-2-carboxamide Openeye Name: 5-amino-N,1-bis[(3-carbamimidoylphenyl)methyl]indole-2-carboxamide CAS Name: 5-amino-N,1-bis[(3-carbamimidoylphenyl)methyl]-2-indolecarboxamide IUPAC Name: 5-amino-N,1-bis[(3-carbamimidoylphenyl)methyl]indole-2-carboxamide Traditional Name: N,1-bis(3-amidinobenzyl)-5-amino-indole-2-carboxamide Formula: C25H25N7O MolecularWeight: 439.5123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)N)C(=N)N

InChI

InChI=1S/C25H25N7O/c26-20-7-8-21-19(11-20)12-22(32(21)14-16-4-2-6-18(10-16)24(29)30)25(33)31-13-15-3-1-5-17(9-15)23(27)28/h1-12H,13-14,26H2,(H3,27,28)(H3,29,30)(H,31,33)