tert-butyl 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-1-oxopentyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorobenzyl)carbamoylamino]pentanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33FN4O4 MolecularWeight: 436.520223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C22H33FN4O4/c1-5-6-18(25-20(29)24-15-16-7-9-17(23)10-8-16)19(28)26-11-13-27(14-12-26)21(30)31-22(2,3)4/h7-10,18H,5-6,11-15H2,1-4H3,(H2,24,25,29)