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

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-methyl-5,9a-dihydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-methyl-5,9a-dihydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-5,9a-dihydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-5,9a-dihydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-methyl-5,9a-dihydro-4H-pyrano[2,3-e]benzimidazole-3-carbonitrile Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2C(=C1)CC(C3=C2N=C(N3C#N)N)C4=CC(=C(C(=C4)Br)OC)OC

Isomeric SMILES

CC1=COC2C(=C1)CC(C3=C2N=C(N3C#N)N)C4=CC(=C(C(=C4)Br)OC)OC

InChI

InChI=1S/C20H19BrN4O3/c1-10-4-12-5-13(11-6-14(21)19(27-3)15(7-11)26-2)17-16(18(12)28-8-10)24-20(23)25(17)9-22/h4,6-8,13,18H,5H2,1-3H3,(H2,23,24)