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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(2-pyridylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(2-pyridinylmethyl)-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(pyridin-2-ylmethyl)indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-(2-pyridylmethyl)indole-2-carboxamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c24-22(25)16-6-3-5-15(11-16)14-28-19-8-4-9-21(29)18(19)12-20(28)23(30)27-13-17-7-1-2-10-26-17/h1-12,29H,13-14H2,(H3,24,25)(H,27,30)