1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide; ethanoyl fluoride

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide CAS Name: acetyl fluoride; 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-2-indolecarboxamide IUPAC Name: acetyl fluoride; 1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]indole-2-carboxamide Traditional Name: acetyl fluoride; 1-(3-amidinobenzyl)-N-(4-amidinobenzyl)indole-2-carboxamide Formula: C31H33F3N6O4 MolecularWeight: 610.62673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H24N6O.3C2H3FO/c26-23(27)18-10-8-16(9-11-18)14-30-25(32)22-13-19-5-1-2-7-21(19)31(22)15-17-4-3-6-20(12-17)24(28)29;3*1-2(3)4/h1-13H,14-15H2,(H3,26,27)(H3,28,29)(H,30,32);3*1H3