5-azanyl-1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide

Systemtic Name: 5-azanyl-1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide Openeye Name: 5-amino-1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide CAS Name: 5-amino-1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-2-indolecarboxamide IUPAC Name: 5-amino-1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-(4-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)CN2C3=C(C=C(C=C3)N)C=C2C(=O)NCC4=CC=C(C=C4)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)N)C=C2C(=O)NCC4=CC=C(C=C4)C(=N)N)C(=N)N

InChI

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