tert-butyl 4-[[2-chloranyl-5-(methylcarbamoyl)phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-chloranyl-5-(methylcarbamoyl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-chloro-5-(methylcarbamoyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-chloro-5-(methylcarbamoyl)anilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-chloro-5-(methylcarbamoyl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-chloro-5-(methylcarbamoyl)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN4O4 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O4/c1-18(2,3)27-17(26)23-9-7-22(8-10-23)16(25)21-14-11-12(15(24)20-4)5-6-13(14)19/h5-6,11H,7-10H2,1-4H3,(H,20,24)(H,21,25)