pentyl 2-[1-(5-bromanyl-2-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-(5-bromanyl-2-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(5-bromo-2-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(5-bromo-2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-butoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCCC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCCC

InChI

InChI=1S/C22H31BrN2O5/c1-3-5-7-13-30-20(26)15-18-21(27)24-10-11-25(18)22(28)17-14-16(23)8-9-19(17)29-12-6-4-2/h8-9,14,18H,3-7,10-13,15H2,1-2H3,(H,24,27)