tert-butyl 4-[[3,5-bis(chloranyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[[3,5-bis(chloranyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(3,5-dichloroanilino)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(3,5-dichlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H23Cl2N3O3 MolecularWeight: 388.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H23Cl2N3O3/c1-17(2,3)25-16(24)22-6-4-5-21(7-8-22)15(23)20-14-10-12(18)9-13(19)11-14/h9-11H,4-8H2,1-3H3,(H,20,23)