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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-(isoquinolin-1-ylmethyl)-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(1-isoquinolylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(1-isoquinolinylmethyl)-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(isoquinolin-1-ylmethyl)indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-(1-isoquinolylmethyl)indole-2-carboxamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

InChI

InChI=1S/C27H23N5O2/c28-26(29)19-7-3-5-17(13-19)16-32-23-9-4-10-25(33)21(23)14-24(32)27(34)31-15-22-20-8-2-1-6-18(20)11-12-30-22/h1-14,33H,15-16H2,(H3,28,29)(H,31,34)