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

Systemtic Name: 3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[(5-isocyano-1-isopentyl-benzimidazol-2-yl)methyl]-1H-benzimidazol-2-one CAS Name: 3-[[5-isocyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[(1-isoamyl-5-isocyano-benzimidazol-2-yl)methyl]-1H-benzimidazol-2-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H21N5O/c1-14(2)10-11-25-19-9-8-15(22-3)12-17(19)23-20(25)13-26-18-7-5-4-6-16(18)24-21(26)27/h4-9,12,14H,10-11,13H2,1-2H3,(H,24,27)