ethyl 8-cyano-2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzofuran-5-carboxylate

Systemtic Name: ethyl 8-cyano-2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzofuran-5-carboxylate Openeye Name: ethyl 8-cyano-2-[6-(N'-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e]benzofuran-5-carboxylate CAS Name: 2-[6-[amino(propan-2-ylimino)methyl]-1H-benzimidazol-2-yl]-8-cyano-5-benzo[e]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzofuran-5-carboxylate Traditional Name: 8-cyano-2-[6-(N'-isopropylamidino)-1H-benzimidazol-2-yl]benzo[e]benzofuran-5-carboxylic acid ethyl ester Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(O2)C3=NC4=C(N3)C=C(C=C4)C(=NC(C)C)N)C5=C1C=CC(=C5)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(O2)C3=NC4=C(N3)C=C(C=C4)C(=NC(C)C)N)C5=C1C=CC(=C5)C#N

InChI

InChI=1S/C27H23N5O3/c1-4-34-27(33)20-12-23-19(18-9-15(13-28)5-7-17(18)20)11-24(35-23)26-31-21-8-6-16(10-22(21)32-26)25(29)30-14(2)3/h5-12,14H,4H2,1-3H3,(H2,29,30)(H,31,32)