2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(tetrahydrofuran-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(2-oxolanylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-7-methyl-6-(tetrahydrofurfuryl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C22H20BrN3O5 MolecularWeight: 486.3153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CC5CCCO5

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CC5CCCO5

InChI

InChI=1S/C22H20BrN3O5/c1-11-5-18-20(22(27)26(11)9-12-3-2-4-28-12)19(14(8-24)21(25)31-18)13-6-16-17(7-15(13)23)30-10-29-16/h5-7,12,19H,2-4,9-10,25H2,1H3