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

Systemtic Name: N,1-bis[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-indole-2-carboxamide Openeye Name: N,1-bis[(3-carbamimidoylphenyl)methyl]-5-hydroxy-indole-2-carboxamide CAS Name: N,1-bis[(3-carbamimidoylphenyl)methyl]-5-hydroxy-2-indolecarboxamide IUPAC Name: N,1-bis[(3-carbamimidoylphenyl)methyl]-5-hydroxyindole-2-carboxamide Traditional Name: N,1-bis(3-amidinobenzyl)-5-hydroxy-indole-2-carboxamide Formula: C25H24N6O2 MolecularWeight: 440.49706

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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)O)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O2/c26-23(27)17-5-1-3-15(9-17)13-30-25(33)22-12-19-11-20(32)7-8-21(19)31(22)14-16-4-2-6-18(10-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)