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

Systemtic Name: N-(1-adamantylmethyl)-1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-indole-2-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-2-indolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(3-amidinobenzyl)-4-hydroxy-indole-2-carboxamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=C(N4CC6=CC=CC(=C6)C(=N)N)C=CC=C5O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=C(N4CC6=CC=CC(=C6)C(=N)N)C=CC=C5O

InChI

InChI=1S/C28H32N4O2/c29-26(30)21-4-1-3-17(10-21)15-32-23-5-2-6-25(33)22(23)11-24(32)27(34)31-16-28-12-18-7-19(13-28)9-20(8-18)14-28/h1-6,10-11,18-20,33H,7-9,12-16H2,(H3,29,30)(H,31,34)