CAS
1426245-63-7 Purity
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1426245-63-7 Purity
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The molecular formula is C17H21N3O2.
The molecular weight is 299.37 g/mol.
The IUPAC name is tert-butyl 3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
The InChI is InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)19-9-10-20-14(11-18-15(20)12-19)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3.
The InChIKey is NCLANSDSIRSLJV-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCN2C(=NC=C2C3=CC=CC=C3)C1.
The CAS number is 1226776-87-9.
The XLogP3-AA value is 2.1.
Yes, it is a canonicalized compound.