tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetate Traditional Name: 2-[4-(4-cyanobenzyl)piperazino]acetic acid tert-butyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)14-21-10-8-20(9-11-21)13-16-6-4-15(12-19)5-7-16/h4-7H,8-11,13-14H2,1-3H3