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

Systemtic Name: butyl 2-[1-(5-bromanyl-2-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCCC

InChI

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