tert-butyl 4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(3-chloroanilino)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H24ClN3O3 MolecularWeight: 353.84376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O3/c1-17(2,3)24-16(23)21-9-5-8-20(10-11-21)15(22)19-14-7-4-6-13(18)12-14/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,22)