6-[2-[(1-cyclopropyl-2-oxidanylidene-imidazo[4,5-c]pyridin-3-yl)methyl]-5-isocyano-benzimidazol-1-yl]hexyl ethanoate

Systemtic Name: 6-[2-[(1-cyclopropyl-2-oxidanylidene-imidazo[4,5-c]pyridin-3-yl)methyl]-5-isocyano-benzimidazol-1-yl]hexyl ethanoate Openeye Name: 6-[2-[(1-cyclopropyl-2-oxo-imidazo[4,5-c]pyridin-3-yl)methyl]-5-isocyano-benzimidazol-1-yl]hexyl acetate CAS Name: acetic acid 6-[2-[(1-cyclopropyl-2-oxo-3-imidazo[4,5-c]pyridinyl)methyl]-5-isocyano-1-benzimidazolyl]hexyl ester IUPAC Name: 6-[2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-5-isocyanobenzimidazol-1-yl]hexyl acetate Traditional Name: acetic acid 6-[2-[(1-cyclopropyl-2-keto-imidazo[4,5-c]pyridin-3-yl)methyl]-5-isocyano-benzimidazol-1-yl]hexyl ester Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=C(C=CN=C4)N(C3=O)C5CC5

Isomeric SMILES

CC(=O)OCCCCCCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=C(C=CN=C4)N(C3=O)C5CC5

InChI

InChI=1S/C26H28N6O3/c1-18(33)35-14-6-4-3-5-13-30-22-10-7-19(27-2)15-21(22)29-25(30)17-31-24-16-28-12-11-23(24)32(26(31)34)20-8-9-20/h7,10-12,15-16,20H,3-6,8-9,13-14,17H2,1H3