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

Systemtic Name: ethyl 4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5/c1-2-23-16(22)20-5-3-19(4-6-20)15(21)18-12-10-14-13(9-11(12)17)24-7-8-25-14/h9-10H,2-8H2,1H3,(H,18,21)