ethyl 4-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22BrN3O5 MolecularWeight: 428.27768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H22BrN3O5/c1-2-24-17(23)21-5-3-20(4-6-21)11-16(22)19-13-10-15-14(9-12(13)18)25-7-8-26-15/h9-10H,2-8,11H2,1H3,(H,19,22)