tert-butyl 4-[2-fluoranyl-4-[(4-methoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-[(4-methoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-[(4-methoxycarbonyl-5-methyl-3-oxo-cyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-[(4-methoxycarbonyl-5-methyl-3-oxo-1-cyclohexenyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-[(4-methoxycarbonyl-5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-carbomethoxy-3-keto-5-methyl-cyclohexen-1-yl)amino]-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32FN3O5 MolecularWeight: 461.526383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C24H32FN3O5/c1-15-12-17(14-20(29)21(15)22(30)32-5)26-16-6-7-19(18(25)13-16)27-8-10-28(11-9-27)23(31)33-24(2,3)4/h6-7,13-15,21,26H,8-12H2,1-5H3