tert-butyl 4-(7-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1-carboxylate CAS Name: 4-(7-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(7-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=CC(=C2)C#N)OCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=CC(=C2)C#N)OCCO3

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-17(22)21-6-4-20(5-7-21)14-10-13(12-19)11-15-16(14)24-9-8-23-15/h10-11H,4-9H2,1-3H3