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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)F)F)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C21H16F2N2O3/c1-12-20(27-11-13-5-3-2-4-6-13)19(26)18(16(10-24)21(25)28-12)15-8-7-14(22)9-17(15)23/h2-9,18H,11,25H2,1H3