CAS
97216-16-5 Purity
96%
97216-16-5 Purity
96%
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Specification
The molecular formula is C20H23N3.
The molecular weight is 305.4 g/mol.
The IUPAC name is 1-benzyl-4-(3-methylanilino)piperidine-4-carbonitrile.
The InChI is InChI=1S/C20H23N3/c1-17-6-5-9-19(14-17)22-20(16-21)10-12-23(13-11-20)15-18-7-3-2-4-8-18/h2-9,14,22H,10-13,15H2,1H3.
The InChIKey is VRQNYTJDMMMAQU-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=CC=C1)NC2(CCN(CC2)CC3=CC=CC=C3)C#N.
The CAS number is 972-18-9.
The EC number is 213-543-5.
The ChEMBL ID is CHEMBL1896700.