tert-butyl 4-[4-[cyclohexyl(prop-2-enyl)carbamoyl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[cyclohexyl(prop-2-enyl)carbamoyl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[allyl(cyclohexyl)carbamoyl]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[cyclohexyl(prop-2-enyl)amino]-oxomethyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[cyclohexyl(prop-2-enyl)carbamoyl]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[allyl(cyclohexyl)carbamoyl]-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H36FN3O3 MolecularWeight: 445.570043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(CC=C)C3CCCCC3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(CC=C)C3CCCCC3)F

InChI

InChI=1S/C25H36FN3O3/c1-5-13-29(20-9-7-6-8-10-20)23(30)19-11-12-22(21(26)18-19)27-14-16-28(17-15-27)24(31)32-25(2,3)4/h5,11-12,18,20H,1,6-10,13-17H2,2-4H3