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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(m-tolylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-methylphenyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-methylphenyl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-(3-methylbenzyl)indole-2-carboxamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O

InChI

InChI=1S/C25H24N4O2/c1-16-5-2-6-17(11-16)14-28-25(31)22-13-20-21(9-4-10-23(20)30)29(22)15-18-7-3-8-19(12-18)24(26)27/h2-13,30H,14-15H2,1H3,(H3,26,27)(H,28,31)