methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C26H23F2N3O5 MolecularWeight: 495.474726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C26H23F2N3O5/c1-36-26(33)20-14-19(15-23(16-20)31(34)35)25(32)30-12-10-29(11-13-30)24(17-2-6-21(27)7-3-17)18-4-8-22(28)9-5-18/h2-9,14-16,24H,10-13H2,1H3