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

Systemtic Name: pentyl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(3-bromo-4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C24H35BrN2O5 MolecularWeight: 511.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCCC)Br

InChI

InChI=1S/C24H35BrN2O5/c1-3-5-7-9-14-31-21-11-10-18(16-19(21)25)24(30)27-13-12-26-23(29)20(27)17-22(28)32-15-8-6-4-2/h10-11,16,20H,3-9,12-15,17H2,1-2H3,(H,26,29)