ethyl 4-[[5-(3,5-dimethylphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(3,5-dimethylphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(3,5-dimethylphenyl)-3-pyridyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(3,5-dimethylphenyl)-3-pyridinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3,5-dimethylphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(3,5-dimethylphenyl)-3-pyridyl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CN=CC(=C2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CN=CC(=C2)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H27N3O2/c1-4-26-21(25)24-7-5-23(6-8-24)15-18-12-20(14-22-13-18)19-10-16(2)9-17(3)11-19/h9-14H,4-8,15H2,1-3H3