[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-nitro-3-thienyl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-(5-nitro-3-thiophenyl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazino]-(5-nitro-3-thienyl)methanone Formula: C22H19F2N3O3S MolecularWeight: 443.466366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19F2N3O3S/c23-18-5-1-15(2-6-18)21(16-3-7-19(24)8-4-16)25-9-11-26(12-10-25)22(28)17-13-20(27(29)30)31-14-17/h1-8,13-14,21H,9-12H2