2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-(furan-2-yl)-6-methyl-benzenecarbonitrile

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-(furan-2-yl)-6-methyl-benzenecarbonitrile Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-(2-furyl)-6-methyl-benzonitrile CAS Name: 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-4-(2-furanyl)-6-methylbenzonitrile IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-(furan-2-yl)-6-methylbenzonitrile Traditional Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazino]-4-(2-furyl)-6-methyl-benzonitrile Formula: C29H25F2N3O MolecularWeight: 469.525106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=CO2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=CO2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C29H25F2N3O/c1-20-17-23(28-3-2-16-35-28)18-27(26(20)19-32)33-12-14-34(15-13-33)29(21-4-8-24(30)9-5-21)22-6-10-25(31)11-7-22/h2-11,16-18,29H,12-15H2,1H3