2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-7-methyl-6-(2-methylpropyl)-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-7-methyl-6-(2-methylpropyl)-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-isobutyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-methyl-6-(2-methylpropyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-methyl-6-(2-methylpropyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-isobutyl-5-keto-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC)C(=O)N1CC(C)C

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C21H22BrN3O3/c1-11(2)10-25-12(3)7-17-19(21(25)26)18(15(9-23)20(24)28-17)14-8-13(22)5-6-16(14)27-4/h5-8,11,18H,10,24H2,1-4H3