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

Systemtic Name: pentyl 2-[1-[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-bromo-4-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[3-bromo-4-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isoamoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C23H33BrN2O5 MolecularWeight: 497.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrN2O5/c1-4-5-6-12-31-21(27)15-19-22(28)25-10-11-26(19)23(29)17-7-8-20(18(24)14-17)30-13-9-16(2)3/h7-8,14,16,19H,4-6,9-13,15H2,1-3H3,(H,25,28)