3-[[5-isocyano-1-(3-oxidanylpropyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[5-isocyano-1-(3-oxidanylpropyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[[1-(3-hydroxypropyl)-5-isocyano-benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one CAS Name: 3-[[1-(3-hydroxypropyl)-5-isocyano-2-benzimidazolyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[1-(3-hydroxypropyl)-5-isocyanobenzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[[1-(3-hydroxypropyl)-5-isocyano-benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)N(C(=N2)CN3C4=CC=CC=C4NC3=O)CCCO

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)N(C(=N2)CN3C4=CC=CC=C4NC3=O)CCCO

InChI

InChI=1S/C19H17N5O2/c1-20-13-7-8-17-15(11-13)21-18(23(17)9-4-10-25)12-24-16-6-3-2-5-14(16)22-19(24)26/h2-3,5-8,11,25H,4,9-10,12H2,(H,22,26)