3-bromanyl-1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyrazolo[3,4-c]pyridine

Systemtic Name: 3-bromanyl-1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyrazolo[3,4-c]pyridine Openeye Name: 3-bromo-1-[(5-isocyano-1-isopentyl-benzimidazol-2-yl)methyl]pyrazolo[3,4-c]pyridine CAS Name: 3-bromo-1-[[5-isocyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]pyrazolo[3,4-c]pyridine IUPAC Name: 3-bromo-1-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyrazolo[3,4-c]pyridine Traditional Name: 3-bromo-1-[(1-isoamyl-5-isocyano-benzimidazol-2-yl)methyl]pyrazolo[3,4-c]pyridine Formula: C20H19BrN6 MolecularWeight: 423.30906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=C(C=CN=C4)C(=N3)Br

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=C(C=CN=C4)C(=N3)Br

InChI

InChI=1S/C20H19BrN6/c1-13(2)7-9-26-17-5-4-14(22-3)10-16(17)24-19(26)12-27-18-11-23-8-6-15(18)20(21)25-27/h4-6,8,10-11,13H,7,9,12H2,1-2H3