3-(2-chloranyl-4-fluoranyl-phenyl)-1-cycloheptyl-4-phenethyl-piperazine-2,5-dione

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-1-cycloheptyl-4-phenethyl-piperazine-2,5-dione Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-1-cycloheptyl-4-phenethyl-piperazine-2,5-dione CAS Name: 3-(2-chloro-4-fluorophenyl)-1-cycloheptyl-4-phenethylpiperazine-2,5-dione IUPAC Name: 3-(2-chloro-4-fluorophenyl)-1-cycloheptyl-4-phenethylpiperazine-2,5-dione Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-1-cycloheptyl-4-phenethyl-piperazine-2,5-quinone Formula: C25H28ClFN2O2 MolecularWeight: 442.953423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CC(=O)N(C(C2=O)C3=C(C=C(C=C3)F)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)N2CC(=O)N(C(C2=O)C3=C(C=C(C=C3)F)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28ClFN2O2/c26-22-16-19(27)12-13-21(22)24-25(31)29(20-10-6-1-2-7-11-20)17-23(30)28(24)15-14-18-8-4-3-5-9-18/h3-5,8-9,12-13,16,20,24H,1-2,6-7,10-11,14-15,17H2