tert-butyl 4-[2-[4-[2-(4-chloranylphenoxy)ethanoyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[2-(4-chloranylphenoxy)ethanoyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[2-(4-chlorophenoxy)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-[(4-fluorophenyl)methyl]-2-piperazinyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[2-(4-chlorophenoxy)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[2-(4-chlorophenoxy)acetyl]-1-(4-fluorobenzyl)piperazin-2-yl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H40ClFN4O4 MolecularWeight: 575.114403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2CN(CCN2CC3=CC=C(C=C3)F)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2CN(CCN2CC3=CC=C(C=C3)F)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H40ClFN4O4/c1-30(2,3)40-29(38)34-16-14-33(15-17-34)13-12-26-21-36(28(37)22-39-27-10-6-24(31)7-11-27)19-18-35(26)20-23-4-8-25(32)9-5-23/h4-11,26H,12-22H2,1-3H3