methyl 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C17H22BrN3O4 MolecularWeight: 412.27828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CN2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CN2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C17H22BrN3O4/c1-11(12-3-5-13(18)6-4-12)20-15(22)10-21-8-7-19-17(24)14(21)9-16(23)25-2/h3-6,11,14H,7-10H2,1-2H3,(H,19,24)(H,20,22)