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

Systemtic Name: tert-butyl 4-[[(5-chloranylpyridin-2-yl)-(phenylcarbonyl)amino]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[benzoyl-(5-chloro-2-pyridyl)amino]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-benzoyl-2-(5-chloro-2-pyridinyl)hydrazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[benzoyl-(5-chloropyridin-2-yl)amino]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[benzoyl-(5-chloro-2-pyridyl)amino]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN5O4 MolecularWeight: 459.92594

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O4/c1-22(2,3)32-21(31)27-13-11-26(12-14-27)20(30)25-28(18-10-9-17(23)15-24-18)19(29)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H,25,30)