pentyl 2-[1-(3-bromanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-(3-bromanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-bromo-4-methyl-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(3-bromo-4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-methyl-benzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C19H25BrN2O4 MolecularWeight: 425.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O4/c1-3-4-5-10-26-17(23)12-16-18(24)21-8-9-22(16)19(25)14-7-6-13(2)15(20)11-14/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,21,24)