tert-butyl 4-[(1S)-2-azanyl-1-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1S)-2-azanyl-1-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-2-amino-1-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[(1S)-2-amino-1-(2,4-dichlorophenyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1S)-2-amino-1-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[(1S)-2-amino-1-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25Cl2N3O2 MolecularWeight: 374.3053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(CN)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@H](CN)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H25Cl2N3O2/c1-17(2,3)24-16(23)22-8-6-21(7-9-22)15(11-20)13-5-4-12(18)10-14(13)19/h4-5,10,15H,6-9,11,20H2,1-3H3/t15-/m1/s1