methyl 3-[[1-(3-azanylpropyl)-2-(4-cyanophenyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(3-azanylpropyl)-2-(4-cyanophenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(3-aminopropyl)-2-(4-cyanophenyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[1-(3-aminopropyl)-2-(4-cyanophenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-aminopropyl)-2-(4-cyanophenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[1-(3-aminopropyl)-2-(4-cyanophenyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CCCN

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CCCN

InChI

InChI=1S/C22H23N5O3/c1-30-20(28)9-11-25-22(29)17-7-8-19-18(13-17)26-21(27(19)12-2-10-23)16-5-3-15(14-24)4-6-16/h3-8,13H,2,9-12,23H2,1H3,(H,25,29)