1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-5-fluoranyl-indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-5-fluoranyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-5-fluoro-indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-5-fluoro-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-dimethylaminophenyl)methyl]-5-fluoroindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[4-(dimethylamino)benzyl]-5-fluoro-indole-2-carboxamide Formula: C26H26FN5O MolecularWeight: 443.515943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)F

InChI

InChI=1S/C26H26FN5O/c1-31(2)22-9-6-17(7-10-22)15-30-26(33)24-14-20-13-21(27)8-11-23(20)32(24)16-18-4-3-5-19(12-18)25(28)29/h3-14H,15-16H2,1-2H3,(H3,28,29)(H,30,33)