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

Systemtic Name: tert-butyl 4-[[(5-chloranylpyridin-2-yl)-(3-fluorophenyl)carbonyl-amino]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(5-chloro-2-pyridyl)-(3-fluorobenzoyl)amino]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(5-chloropyridin-2-yl)-(3-fluorobenzoyl)amino]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[(5-chloro-2-pyridyl)-(3-fluorobenzoyl)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)Cl)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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