tert-butyl 3-[(2-chlorophenyl)methyl-cyclopropyl-carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-chlorophenyl)methyl-cyclopropyl-carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-[(2-chlorophenyl)methyl-cyclopropyl-carbamoyl]piperazine-1-carboxylate CAS Name: 3-[[(2-chlorophenyl)methyl-cyclopropylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-chlorophenyl)methyl-cyclopropylcarbamoyl]piperazine-1-carboxylate Traditional Name: 3-[(2-chlorobenzyl)-cyclopropyl-carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)N(CC2=CC=CC=C2Cl)C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)N(CC2=CC=CC=C2Cl)C3CC3

InChI

InChI=1S/C20H28ClN3O3/c1-20(2,3)27-19(26)23-11-10-22-17(13-23)18(25)24(15-8-9-15)12-14-6-4-5-7-16(14)21/h4-7,15,17,22H,8-13H2,1-3H3