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

Systemtic Name: propyl 2-[1-(3-bromanyl-4-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-(3-bromo-4-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-(3-bromo-4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-butoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O5/c1-3-5-11-27-17-7-6-14(12-15(17)21)20(26)23-9-8-22-19(25)16(23)13-18(24)28-10-4-2/h6-7,12,16H,3-5,8-11,13H2,1-2H3,(H,22,25)