2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-morpholin-4-yl-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-morpholin-4-yl-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-morpholino-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-(4-morpholinyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-morpholin-4-yl-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-morpholino-4H-chromene-3-carbonitrile Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)N4CCOCC4)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)N4CCOCC4)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C22H22BrN3O4/c1-27-19-10-13(9-17(23)21(19)28-2)20-15-4-3-14(26-5-7-29-8-6-26)11-18(15)30-22(25)16(20)12-24/h3-4,9-11,20H,5-8,25H2,1-2H3