2-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-fluoro-phenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-fluoro-phenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H16BrFN2O2 MolecularWeight: 439.277043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=CC(=C(C=C3)F)Br)C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C2=C1OC(=C(C2C3=CC(=C(C=C3)F)Br)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrFN2O2/c23-16-8-13(6-7-17(16)24)20-15(11-25)22(26)28-19-10-14(9-18(27)21(19)20)12-4-2-1-3-5-12/h1-8,14,20H,9-10,26H2