CAS
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Specification
The molecular formula is C15H15N.
The molecular weight is 209.29 g/mol.
The IUPAC name is 1-phenyl-1,2,3,4-tetrahydroisoquinoline.
The InChI is InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2.
The InChIKey is PRTRSEDVLBBFJZ-UHFFFAOYSA-N.
The canonical SMILES is C1CNC(C2=CC=CC=C21)C3=CC=CC=C3.
The CAS number is 22990-19-8.
The EC number is 675-478-2.
The ChEMBL ID is CHEMBL21465.
Yes, 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline is a canonicalized compound.