tert-butyl 4-[2-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-(pyrrolidinomethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30FN3O2 MolecularWeight: 363.469503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)CN3CCCC3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)CN3CCCC3)F

InChI

InChI=1S/C20H30FN3O2/c1-20(2,3)26-19(25)24-12-10-23(11-13-24)18-7-6-16(14-17(18)21)15-22-8-4-5-9-22/h6-7,14H,4-5,8-13,15H2,1-3H3