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

Systemtic Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(4-fluorophenyl)-2-oxidanylidene-pyran-3-carbonitrile Openeye Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(4-fluorophenyl)-2-oxo-pyran-3-carbonitrile CAS Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-(4-fluorophenyl)-2-oxo-3-pyrancarbonitrile IUPAC Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-6-(4-fluorophenyl)-2-oxopyran-3-carbonitrile Traditional Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-6-(4-fluorophenyl)-2-keto-pyran-3-carbonitrile Formula: C29H23ClFN3O2 MolecularWeight: 499.963223

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H23ClFN3O2/c30-23-10-6-22(7-11-23)28(21-4-2-1-3-5-21)34-16-14-33(15-17-34)26-18-27(36-29(35)25(26)19-32)20-8-12-24(31)13-9-20/h1-13,18,28H,14-17H2