3-phenylpropyl 2-[1-(2-bromanylethanoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(2-bromanylethanoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(2-bromoacetyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2-bromo-1-oxoethyl)-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-bromoacetyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=O)CBr

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=O)CBr

InChI

InChI=1S/C17H21BrN2O4/c18-12-15(21)20-9-8-19-17(23)14(20)11-16(22)24-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,23)