6-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile

Systemtic Name: 6-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile Openeye Name: 6-(3,4-difluorophenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile CAS Name: 6-(3,4-difluorophenyl)-2-oxo-4-(4-phenyl-1-piperazinyl)-3-pyrancarbonitrile IUPAC Name: 6-(3,4-difluorophenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile Traditional Name: 6-(3,4-difluorophenyl)-2-keto-4-(4-phenylpiperazino)pyran-3-carbonitrile Formula: C22H17F2N3O2 MolecularWeight: 393.386086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC(=C3)C4=CC(=C(C=C4)F)F)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC(=C3)C4=CC(=C(C=C4)F)F)C#N

InChI

InChI=1S/C22H17F2N3O2/c23-18-7-6-15(12-19(18)24)21-13-20(17(14-25)22(28)29-21)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12-13H,8-11H2