tert-butyl 4-(4-chlorophenyl)-3-[4-(diethylaminomethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-3-[4-(diethylaminomethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-3-[4-(diethylaminomethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-(4-chlorophenyl)-3-[4-(diethylaminomethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-3-[4-(diethylaminomethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-[4-(diethylaminomethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)C2CN(CCN2C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)C2CN(CCN2C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36ClN3O2/c1-6-28(7-2)18-20-8-10-21(11-9-20)24-19-29(25(31)32-26(3,4)5)16-17-30(24)23-14-12-22(27)13-15-23/h8-15,24H,6-7,16-19H2,1-5H3