4-(3-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)OC)OC)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)OC)OC)C#N

InChI

InChI=1S/C21H23BrN2O3/c1-11-13(10-23)18(12-6-14(22)20(27-5)17(7-12)26-4)19-15(24-11)8-21(2,3)9-16(19)25/h6-7,18,24H,8-9H2,1-5H3