tert-butyl 5-(5-thiophen-3-ylpyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl 5-(5-thiophen-3-ylpyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl 5-[5-(3-thienyl)-3-pyridyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 5-[5-(3-thiophenyl)-3-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(5-thiophen-3-ylpyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 5-[5-(3-thienyl)-3-pyridyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=CN=CC(=C3)C4=CSC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC1CN2C3=CN=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C19H23N3O2S/c1-19(2,3)24-18(23)22-11-16-7-17(22)10-21(16)15-6-14(8-20-9-15)13-4-5-25-12-13/h4-6,8-9,12,16-17H,7,10-11H2,1-3H3