tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-fluoranyl-phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-fluoranyl-phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]-4-fluoro-phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-fluoroanilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(5-chloropyridin-2-yl)carbamoyl]-4-fluorophenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]-4-fluoro-phenyl]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)NC2=C(C=C(C=C2)F)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)F)C(=O)NC3=NC=C(C=C3)Cl

InChI

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