1-[(3-carbamimidoylphenyl)methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-oxidanyl-indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)benzyl]indole-2-carboxamide Formula: C26H23F3N4O2 MolecularWeight: 480.48163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23F3N4O2/c1-15-8-17(11-19(9-15)26(27,28)29)13-32-25(35)22-12-20-21(6-3-7-23(20)34)33(22)14-16-4-2-5-18(10-16)24(30)31/h2-12,34H,13-14H2,1H3,(H3,30,31)(H,32,35)