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

Systemtic Name: 6-[3,4-bis(fluoranyl)phenyl]-4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-pyran-3-carbonitrile Openeye Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(3,4-difluorophenyl)-2-oxo-pyran-3-carbonitrile CAS Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-(3,4-difluorophenyl)-2-oxo-3-pyrancarbonitrile IUPAC Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-6-(3,4-difluorophenyl)-2-oxopyran-3-carbonitrile Traditional Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-6-(3,4-difluorophenyl)-2-keto-pyran-3-carbonitrile Formula: C29H22ClF2N3O2 MolecularWeight: 517.953686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)OC(=C2)C3=CC(=C(C=C3)F)F)C#N)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)OC(=C2)C3=CC(=C(C=C3)F)F)C#N)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H22ClF2N3O2/c30-22-9-6-20(7-10-22)28(19-4-2-1-3-5-19)35-14-12-34(13-15-35)26-17-27(37-29(36)23(26)18-33)21-8-11-24(31)25(32)16-21/h1-11,16-17,28H,12-15H2