1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-imidazo[4,5-c]pyridin-2-one

Systemtic Name: 1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-imidazo[4,5-c]pyridin-2-one Openeye Name: 1-[(5-isocyano-1-isopentyl-benzimidazol-2-yl)methyl]-3H-imidazo[4,5-c]pyridin-2-one CAS Name: 1-[[5-isocyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one IUPAC Name: 1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3H-imidazo[4,5-c]pyridin-2-one Traditional Name: 1-[(1-isoamyl-5-isocyano-benzimidazol-2-yl)methyl]-3H-imidazo[4,5-c]pyridin-2-one Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=C(C=NC=C4)NC3=O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=C(C=NC=C4)NC3=O

InChI

InChI=1S/C20H20N6O/c1-13(2)7-9-25-17-5-4-14(21-3)10-15(17)23-19(25)12-26-18-6-8-22-11-16(18)24-20(26)27/h4-6,8,10-11,13H,7,9,12H2,1-2H3,(H,24,27)