tert-butyl 4-[[(3-chlorophenyl)carbonyl-(5-fluoranylpyridin-2-yl)amino]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-chlorophenyl)carbonyl-(5-fluoranylpyridin-2-yl)amino]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-chlorobenzoyl)-(5-fluoro-2-pyridyl)amino]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3-chlorophenyl)-oxomethyl]-2-(5-fluoro-2-pyridinyl)hydrazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-chlorobenzoyl)-(5-fluoropyridin-2-yl)amino]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[(3-chlorobenzoyl)-(5-fluoro-2-pyridyl)amino]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25ClFN5O4 MolecularWeight: 477.916403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NN(C2=NC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NN(C2=NC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClFN5O4/c1-22(2,3)33-21(32)28-11-9-27(10-12-28)20(31)26-29(18-8-7-17(24)14-25-18)19(30)15-5-4-6-16(23)13-15/h4-8,13-14H,9-12H2,1-3H3,(H,26,31)