2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-5,7,8,9a-tetrahydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-5,7,8,9a-tetrahydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-5,7,8,9a-tetrahydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5,7,8,9a-tetrahydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5,7,8,9a-tetrahydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-5,7,8,9a-tetrahydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile Formula: C19H19BrN4O3 MolecularWeight: 431.28316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC3=CCCOC3C4=C2N(C(=N4)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC3=CCCOC3C4=C2N(C(=N4)N)C#N)Br)OC

InChI

InChI=1S/C19H19BrN4O3/c1-25-14-8-11(7-13(20)18(14)26-2)12-6-10-4-3-5-27-17(10)15-16(12)24(9-21)19(22)23-15/h4,7-8,12,17H,3,5-6H2,1-2H3,(H2,22,23)