2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-6-ethoxy-5-oxidanylidene-7-phenyl-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-6-ethoxy-5-oxidanylidene-7-phenyl-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-5-oxo-7-phenyl-4H-oxepine-3-carbonitrile CAS Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-5-oxo-7-phenyl-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-5-oxo-7-phenyl-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-5-keto-7-phenyl-4H-oxepin-3-carbonitrile Formula: C21H16F2N2O3 MolecularWeight: 382.360146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=C(C=C(C=C2)F)F)C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=C(C=C(C=C2)F)F)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H16F2N2O3/c1-2-27-20-18(26)17(14-9-8-13(22)10-16(14)23)15(11-24)21(25)28-19(20)12-6-4-3-5-7-12/h3-10,17H,2,25H2,1H3