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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-N-[[4-(phenethylamino)phenyl]methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-N-[[4-(phenethylamino)phenyl]methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-N-[[4-(phenethylamino)phenyl]methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-N-[[4-(phenethylamino)phenyl]methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-5-fluoro-N-[4-(phenethylamino)benzyl]indole-2-carboxamide Formula: C32H30FN5O MolecularWeight: 519.611903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC=C(C=C2)CNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC(=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC=C(C=C2)CNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC(=C4)F

InChI

InChI=1S/C32H30FN5O/c33-27-11-14-29-26(18-27)19-30(38(29)21-24-7-4-8-25(17-24)31(34)35)32(39)37-20-23-9-12-28(13-10-23)36-16-15-22-5-2-1-3-6-22/h1-14,17-19,36H,15-16,20-21H2,(H3,34,35)(H,37,39)