tert-butyl N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-[2-(4-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C24H30ClN3O3 MolecularWeight: 443.9663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-24(2,3)31-23(30)26-21-10-6-19(7-11-21)22(29)28-16-14-27(15-17-28)13-12-18-4-8-20(25)9-5-18/h4-11H,12-17H2,1-3H3,(H,26,30)