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

Systemtic Name: pentyl 2-[1-(5-bromanyl-2-propan-2-yloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(5-bromo-2-isopropoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(5-bromo-2-propan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-isopropoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O5/c1-4-5-6-11-28-19(25)13-17-20(26)23-9-10-24(17)21(27)16-12-15(22)7-8-18(16)29-14(2)3/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,23,26)