tert-butyl 4-[3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)prop-2-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN2O2 MolecularWeight: 334.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H23ClN2O2/c1-18(2,3)23-17(22)21-12-10-20(11-13-21)9-5-7-15-6-4-8-16(19)14-15/h4,6,8,14H,9-13H2,1-3H3