ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-cyclohexyl-1-piperazinyl)-2-(4-fluorophenyl)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-cyclohexylpiperazino)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H39FN4O2 MolecularWeight: 446.601163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H39FN4O2/c1-2-32-25(31)30-14-12-27(13-15-30)20-24(21-8-10-22(26)11-9-21)29-18-16-28(17-19-29)23-6-4-3-5-7-23/h8-11,23-24H,2-7,12-20H2,1H3